N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine

C12H12N6S — CID 62469468

IUPACN-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1ncccc1CSc1ncnc2nc[nH]c12
InChIInChI=1S/C12H12N6S/c1-13-10-8(3-2-4-14-10)5-19-12-9-11(16-6-15-9)17-7-18-12/h2-4,6-7H,5H2,1H3,(H,13,14)(H,15,16,17,18)
InChIKeyADBCUIZULNWFSH-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds4

About N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine

N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 62469468) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine
PubChem CID62469468
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC NameN-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1ncccc1CSc1ncnc2nc[nH]c12
InChIInChI=1S/C12H12N6S/c1-13-10-8(3-2-4-14-10)5-19-12-9-11(16-6-15-9)17-7-18-12/h2-4,6-7H,5H2,1H3,(H,13,14)(H,15,16,17,18)
InChIKeyADBCUIZULNWFSH-UHFFFAOYSA-N
XLogP2.08
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(pyridazin-3-ylmethylsulfanyl)-7H-purine
CID 171816697
2-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline
CID 62497271
N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 64633270
6-[(4-methylsulfanylphenyl)methylsulfanyl]-7H-purine
CID 146314022
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
2-fluoro-3-(7H-purin-6-ylsulfanylmethyl)benzonitrile
CID 103886710
6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine
CID 70922613
2-amino-6-(7H-purin-6-ylsulfanylmethyl)benzoic acid
CID 104825757
2-nitro-6-(7H-purin-6-ylsulfanylmethyl)aniline
CID 107352701
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
4-chloro-2-(7H-purin-6-ylsulfanylmethyl)aniline
CID 79582600
6-(3-phenylpropylsulfanyl)-7H-purine
CID 135397811

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine (CID 62469468) is N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine is CNc1ncccc1CSc1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is ADBCUIZULNWFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-13-10-8(3-2-4-14-10)5-19-12-9-11(16-6-15-9)17-7-18-12/h2-4,6-7H,5H2,1H3,(H,13,14)(H,15,16,17,18).
What are the key properties of N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine?
N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 272.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62469468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).