Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2639424-58-9 / 4-dimethylphosphorylpyrimidin-2-amine
Basic Information
CAS
2639424-58-9
Multi CAS
No
Molecular Formula
C6H10N3OP
Molecular Weight
171.140000
Exact Mass
171.056149
SMILES
CP(=O)(C)C1=NC(=NC=C1)N
InChI
InChI=1S/C6H10N3OP/c1-11(2,10)5-3-4-8-6(7)9-5/h3-4H,1-2H3,(H2,7,8,9)
InChIKey
QWFNUVTULNOSKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.53
TPSA
68.87
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
-0.8
Consensus LogP
-0.07
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(S)-2-(2-chloro-5-fluorophenyl)pyrrolidine hydrochloride
- CAS RN: 2639622-98-1
- Product Code: starshine_CAS2639622-98-1
- Purity/Analytical method: >99.0%
-
1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin, 4,4,8,8-tetrakis(3,5-diethylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-, (3aS,8aS)-
- CAS RN: 2639939-72-1
- Product Code: starshine_CAS2639939-72-1
- Purity/Analytical method: >99.0%
-
(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine hydrochloride
- CAS RN: 2639960-45-3
- Product Code: SSC-123965
-
Pyrazolo[1,5-a]pyrimidine, 3,5-dichloro-6-iodo-
- CAS RN: 2640353-16-6
- Product Code: SSC-123975
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2640378-28-3
- Product Code: starshine_CAS2640378-28-3
- Purity/Analytical method: >99.0%
-
4-Piperidinol, 4-(aminomethyl)-1-[5-[2-methoxy-6-(1-methylethyl)-3-pyridinyl]imidazo[2,1-b]-1,3,4-thiadiazol-2-yl]-
- CAS RN: 2640567-43-5
- Product Code: starshine_CAS2640567-43-5
- Purity/Analytical method: >99.0%
![CAS 2639939-72-1 1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin, 4,4,8,8-tetrakis(3,5-diethylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-, (3aS,8aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2639939-72-1.gif)
![CAS 2640353-16-6 Pyrazolo[1,5-a]pyrimidine, 3,5-dichloro-6-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2640353-16-6.gif)
![CAS 2640567-43-5 4-Piperidinol, 4-(aminomethyl)-1-[5-[2-methoxy-6-(1-methylethyl)-3-pyridinyl]imidazo[2,1-b]-1,3,4-thiadiazol-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2640567-43-5.gif)