2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine

C13H11Cl2N5O — CID 103293198

IUPAC2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine
SMILESCOc1cccc(Cl)c1CNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C13H11Cl2N5O/c1-21-9-4-2-3-8(14)7(9)5-16-11-10-12(18-6-17-10)20-13(15)19-11/h2-4,6H,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyYSVQQUMWVRDZRO-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine

2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine (PubChem CID 103293198) has the molecular formula C13H11Cl2N5O and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine
PubChem CID103293198
Molecular FormulaC13H11Cl2N5O
Molecular Weight324.17 g/mol
Exact Mass323.03
IUPAC Name2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine
SMILESCOc1cccc(Cl)c1CNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C13H11Cl2N5O/c1-21-9-4-2-3-8(14)7(9)5-16-11-10-12(18-6-17-10)20-13(15)19-11/h2-4,6H,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyYSVQQUMWVRDZRO-UHFFFAOYSA-N
XLogP3.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
CID 107622624
4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136782374
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methylpyrimidine-2,4-diamine
CID 103293639
2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 154249196
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine
CID 104697682
2-N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 103291754
2-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-7H-purin-6-amine
CID 167815074
2-chloro-N-(2,4-dimethoxyphenyl)-7H-purin-6-amine
CID 104787098
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine (CID 103293198) is 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine is COc1cccc(Cl)c1CNc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine?
The InChIKey is YSVQQUMWVRDZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5O/c1-21-9-4-2-3-8(14)7(9)5-16-11-10-12(18-6-17-10)20-13(15)19-11/h2-4,6H,5H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine?
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine has a molecular weight of 324.17 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 103293198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).