2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine

C12H12ClN5 — CID 130215667

IUPAC2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine
SMILESCN(c1ccccc1)c1nc(Cl)nc2c1NCN2
InChIInChI=1S/C12H12ClN5/c1-18(8-5-3-2-4-6-8)11-9-10(15-7-14-9)16-12(13)17-11/h2-6,14H,7H2,1H3,(H,15,16,17)
InChIKeyDHLPBJJKXQIXLV-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine

2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine (PubChem CID 130215667) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine
PubChem CID130215667
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine
SMILESCN(c1ccccc1)c1nc(Cl)nc2c1NCN2
InChIInChI=1S/C12H12ClN5/c1-18(8-5-3-2-4-6-8)11-9-10(15-7-14-9)16-12(13)17-11/h2-6,14H,7H2,1H3,(H,15,16,17)
InChIKeyDHLPBJJKXQIXLV-UHFFFAOYSA-N
XLogP2.69
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 11325910
2-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine
CID 40517396
1-(2,5-dichloropyrimidin-4-yl)-1-phenylhydrazine
CID 130391718
4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine
CID 71303239
N-methyl-N-phenyl-1H-pyrazol-5-amine
CID 20746504
2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine
CID 3090149
2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
CID 62476819
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
3-[(2-chloroquinazolin-4-yl)-methylamino]benzoic acid
CID 175557003
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
3,4-dichloro-N-methyl-N-phenylaniline
CID 73012191
5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 14505755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine (CID 130215667) is 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine is CN(c1ccccc1)c1nc(Cl)nc2c1NCN2.
What is the InChIKey of 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine?
The InChIKey is DHLPBJJKXQIXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-18(8-5-3-2-4-6-8)11-9-10(15-7-14-9)16-12(13)17-11/h2-6,14H,7H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine?
2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine has a molecular weight of 261.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-phenyl-8,9-dihydro-7H-purin-6-amine is sourced from PubChem (CID 130215667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).