![CAS 1060815-86-2 2,4-Dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1060815-86-2.gif)
CAS RN: 1060815-86-2
2,4-Dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
- Product code: SSC-007888
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1060815-86-2 / 2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
2,4-Dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine | DTXSID50680674 | 2,4-Dichloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine
Basic Information
CAS
1060815-86-2
Multi CAS
No
Molecular Formula
C7H5Cl2N3
Molecular Weight
202.040000
Exact Mass
200.986053
SMILES
CC1=CNC2=C1C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C7H5Cl2N3/c1-3-2-10-6-4(3)5(8)11-7(9)12-6/h2H,1H3,(H,10,11,12)
InChIKey
YXPYVRKJOFGHQI-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
DTXSID50680674
2,4-Dichloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine
RefChem:246243
DTXCID90631423
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.65
TPSA
41.57
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
3
Consensus LogP
2.61
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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