2-chloro-N-pyridin-4-yl-7H-purin-6-amine

C10H7ClN6 — CID 155102926

IUPAC2-chloro-N-pyridin-4-yl-7H-purin-6-amine
SMILESClc1nc(Nc2ccncc2)c2[nH]cnc2n1
InChIInChI=1S/C10H7ClN6/c11-10-16-8-7(13-5-14-8)9(17-10)15-6-1-3-12-4-2-6/h1-5H,(H2,12,13,14,15,16,17)
InChIKeyTVKUJERZHQHRNE-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.14
Rot. Bonds2

About 2-chloro-N-pyridin-4-yl-7H-purin-6-amine

2-chloro-N-pyridin-4-yl-7H-purin-6-amine (PubChem CID 155102926) has the molecular formula C10H7ClN6 and a molecular weight of 246.66 g/mol. Its IUPAC name is 2-chloro-N-pyridin-4-yl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-pyridin-4-yl-7H-purin-6-amine
PubChem CID155102926
Molecular FormulaC10H7ClN6
Molecular Weight246.66 g/mol
Exact Mass246.04
IUPAC Name2-chloro-N-pyridin-4-yl-7H-purin-6-amine
SMILESClc1nc(Nc2ccncc2)c2[nH]cnc2n1
InChIInChI=1S/C10H7ClN6/c11-10-16-8-7(13-5-14-8)9(17-10)15-6-1-3-12-4-2-6/h1-5H,(H2,12,13,14,15,16,17)
InChIKeyTVKUJERZHQHRNE-UHFFFAOYSA-N
XLogP2.14
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-pyridin-4-yl-7H-purin-6-amine 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

2-chloro-N-[4-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 104787085
2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane
CID 142948412
2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
CID 104787158
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
N-(2-bromophenyl)-2-chloro-7H-purin-6-amine
CID 25168953
4-[(2-chloro-7H-purin-6-yl)amino]benzene-1,2-dicarbonitrile
CID 107792395
N-(4-bromo-3-iodophenyl)-2-chloro-7H-purin-6-amine
CID 114261164
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073
1-N-(2-chloro-7H-purin-6-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 104787440
2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
CID 107622624
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
2-chloro-N-(2,4,6-trifluorophenyl)-7H-purin-6-amine
CID 104787396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-4-yl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-pyridin-4-yl-7H-purin-6-amine (CID 155102926) is 2-chloro-N-pyridin-4-yl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-pyridin-4-yl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-pyridin-4-yl-7H-purin-6-amine is Clc1nc(Nc2ccncc2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-pyridin-4-yl-7H-purin-6-amine?
The InChIKey is TVKUJERZHQHRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6/c11-10-16-8-7(13-5-14-8)9(17-10)15-6-1-3-12-4-2-6/h1-5H,(H2,12,13,14,15,16,17).
What are the key properties of 2-chloro-N-pyridin-4-yl-7H-purin-6-amine?
2-chloro-N-pyridin-4-yl-7H-purin-6-amine has a molecular weight of 246.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-4-yl-7H-purin-6-amine is sourced from PubChem (CID 155102926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).