2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine

C12H11ClN6 — CID 113453067

IUPAC2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
SMILESCN(Cc1ccccn1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C12H11ClN6/c1-19(6-8-4-2-3-5-14-8)11-9-10(16-7-15-9)17-12(13)18-11/h2-5,7H,6H2,1H3,(H,15,16,17,18)
InChIKeyDQOBRXFZECXLNW-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.04
Rot. Bonds3

About 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine

2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine (PubChem CID 113453067) has the molecular formula C12H11ClN6 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
PubChem CID113453067
Molecular FormulaC12H11ClN6
Molecular Weight274.71 g/mol
Exact Mass274.07
IUPAC Name2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
SMILESCN(Cc1ccccn1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C12H11ClN6/c1-19(6-8-4-2-3-5-14-8)11-9-10(16-7-15-9)17-12(13)18-11/h2-5,7H,6H2,1H3,(H,15,16,17,18)
InChIKeyDQOBRXFZECXLNW-UHFFFAOYSA-N
XLogP2.04
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 104787415
2-[(2-chloro-7H-purin-6-yl)-methylamino]benzonitrile
CID 104697441
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine
CID 73425352
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine (CID 113453067) is 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine is CN(Cc1ccccn1)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is DQOBRXFZECXLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c1-19(6-8-4-2-3-5-14-8)11-9-10(16-7-15-9)17-12(13)18-11/h2-5,7H,6H2,1H3,(H,15,16,17,18).
What are the key properties of 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine?
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 274.71 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 113453067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).