6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine

C13H12ClN5 — CID 134136051

IUPAC6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCn1c(-c2cccc(Cl)c2)cc2c(N)nc(N)nc21
InChIInChI=1S/C13H12ClN5/c1-19-10(7-3-2-4-8(14)5-7)6-9-11(15)17-13(16)18-12(9)19/h2-6H,1H3,(H4,15,16,17,18)
InChIKeyOKCPDTBJQUNNKS-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.45
Rot. Bonds1

About 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine

6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 134136051) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID134136051
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCn1c(-c2cccc(Cl)c2)cc2c(N)nc(N)nc21
InChIInChI=1S/C13H12ClN5/c1-19-10(7-3-2-4-8(14)5-7)6-9-11(15)17-13(16)18-12(9)19/h2-6H,1H3,(H4,15,16,17,18)
InChIKeyOKCPDTBJQUNNKS-UHFFFAOYSA-N
XLogP2.45
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine 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 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 134136051) is 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine is Cn1c(-c2cccc(Cl)c2)cc2c(N)nc(N)nc21.
What is the InChIKey of 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OKCPDTBJQUNNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-19-10(7-3-2-4-8(14)5-7)6-9-11(15)17-13(16)18-12(9)19/h2-6H,1H3,(H4,15,16,17,18).
What are the key properties of 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 273.73 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 134136051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).