4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

C7H6ClN3 — CID 14809282

IUPAC4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C7H6ClN3/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyNISJMYPRXDUYTF-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.92
Rot. Bonds

About 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 14809282) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID14809282
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C7H6ClN3/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyNISJMYPRXDUYTF-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-methyl-7H-pyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 14809282) is 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NISJMYPRXDUYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11).
What are the key properties of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 167.60 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 14809282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).