2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine

C12H9Cl2N5O — CID 107622624

IUPAC2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
SMILESCOc1cc(Nc2nc(Cl)nc3nc[nH]c23)ccc1Cl
InChIInChI=1S/C12H9Cl2N5O/c1-20-8-4-6(2-3-7(8)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyGQZLNYGUNUCHIQ-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine

2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine (PubChem CID 107622624) has the molecular formula C12H9Cl2N5O and a molecular weight of 310.14 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
PubChem CID107622624
Molecular FormulaC12H9Cl2N5O
Molecular Weight310.14 g/mol
Exact Mass309.02
IUPAC Name2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
SMILESCOc1cc(Nc2nc(Cl)nc3nc[nH]c23)ccc1Cl
InChIInChI=1S/C12H9Cl2N5O/c1-20-8-4-6(2-3-7(8)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyGQZLNYGUNUCHIQ-UHFFFAOYSA-N
XLogP3.41
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2,4-dimethoxyphenyl)-7H-purin-6-amine
CID 104787098
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine
CID 10591280
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
CID 114841178
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-pyridin-4-yl-7H-purin-6-amine
CID 155102926
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-propylphenyl)-7H-purin-6-amine
CID 104787158
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine
CID 103293198
2-chloro-N-[4-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 104787085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine (CID 107622624) is 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine is COc1cc(Nc2nc(Cl)nc3nc[nH]c23)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine?
The InChIKey is GQZLNYGUNUCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5O/c1-20-8-4-6(2-3-7(8)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine?
2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine has a molecular weight of 310.14 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine is sourced from PubChem (CID 107622624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).