CAS RN: 500160-46-3
2-Pyrimidinecarbonitrile, 4-(dimethylamino)- (9CI)
- Product code: SSC-156328
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
500160-46-3 / 4-(dimethylamino)pyrimidine-2-carbonitrile
Basic Information
CAS
500160-46-3
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
InChI
InChI=1S/C7H8N4/c1-11(2)7-3-4-9-6(5-8)10-7/h3-4H,1-2H3
InChIKey
BUQRTVMMUMPDMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.07
TPSA
52.81
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.7
Consensus LogP
0.49
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-Pyrimidinecarboxylicacid,4-methoxy-,methylester(9CI)
- CAS RN: 500160-56-5
- Product Code: SSC-156329
-
4(1H)-Pyrimidinone,2-amino-6-hydroxy-5-(1-methylethyl)-(9CI)
- CAS RN: 500161-23-9
- Product Code: starshine_CAS500161-23-9
- Purity/Analytical method: >99.0%
-
IP7E
- CAS RN: 500164-74-9
- Product Code: starshine_CAS500164-74-9
- Purity/Analytical method: >99.0%
-
2-FLUORO-4-(4-METHYL-1-PIPERAZINYL)-BENZENAMINE
- CAS RN: 500205-59-4
- Product Code: SSC-156333
-
Benzenamine, 4-(4-ethyl-1-piperazinyl)-2-fluoro- (9CI)
- CAS RN: 500205-60-7
- Product Code: SSC-156334
-
(R)-tert-Butyl 4-hydroxy-2-oxopiperidine-1-carboxylate
- CAS RN: 500229-80-1
- Product Code: SSC-156336
