2-chloro-7-methylpyrrolo[2,3-d]pyrimidine

C7H6ClN3 — CID 57415888

IUPAC2-chloro-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2cnc(Cl)nc21
InChIInChI=1S/C7H6ClN3/c1-11-3-2-5-4-9-7(8)10-6(5)11/h2-4H,1H3
InChIKeyWOIRQILACBXPIQ-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.62
Rot. Bonds

About 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine

2-chloro-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 57415888) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID57415888
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-chloro-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2cnc(Cl)nc21
InChIInChI=1S/C7H6ClN3/c1-11-3-2-5-4-9-7(8)10-6(5)11/h2-4H,1H3
InChIKeyWOIRQILACBXPIQ-UHFFFAOYSA-N
XLogP1.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-
CID 5356682
7-Deazaadenine
CID 5359620
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
6-Pyrrolidino-7-deazapurine
CID 4428602
4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 265829
4-chloro-7H-pyrrolo(2,3-d)pyrimidin-2-amine
CID 5324413
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
3-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrrolidine
CID 67250742
4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 10920898
2-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 18334366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine (CID 57415888) is 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine is Cn1ccc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is WOIRQILACBXPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-11-3-2-5-4-9-7(8)10-6(5)11/h2-4H,1H3.
What are the key properties of 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine?
2-chloro-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 167.60 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 57415888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).