6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine

C12H12N6S — CID 102927037

IUPAC6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
SMILESCc1cc(C)nc(Sc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C12H12N6S/c1-6-3-7(2)16-8(4-6)19-11-9-10(15-5-14-9)17-12(13)18-11/h3-5H,1-2H3,(H3,13,14,15,17,18)
InChIKeyLFPGMAQCWZMXCO-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.10
Rot. Bonds2

About 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine (PubChem CID 102927037) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
PubChem CID102927037
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
SMILESCc1cc(C)nc(Sc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C12H12N6S/c1-6-3-7(2)16-8(4-6)19-11-9-10(15-5-14-9)17-12(13)18-11/h3-5H,1-2H3,(H3,13,14,15,17,18)
InChIKeyLFPGMAQCWZMXCO-UHFFFAOYSA-N
XLogP2.10
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine?
The IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine (CID 102927037) is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine.
What is the SMILES notation for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine?
The canonical SMILES for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine is Cc1cc(C)nc(Sc2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine?
The InChIKey is LFPGMAQCWZMXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-6-3-7(2)16-8(4-6)19-11-9-10(15-5-14-9)17-12(13)18-11/h3-5H,1-2H3,(H3,13,14,15,17,18).
What are the key properties of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine?
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine has a molecular weight of 272.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine is sourced from PubChem (CID 102927037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).