4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine

C8H10N6S — CID 80882973

IUPAC4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1cc(Sc2nncn2C)nc(N)n1
InChIInChI=1S/C8H10N6S/c1-5-3-6(12-7(9)11-5)15-8-13-10-4-14(8)2/h3-4H,1-2H3,(H2,9,11,12)
InChIKeyXNHCCTWWMVFNEH-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.65
Rot. Bonds2

About 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine

4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80882973) has the molecular formula C8H10N6S and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80882973
Molecular FormulaC8H10N6S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1cc(Sc2nncn2C)nc(N)n1
InChIInChI=1S/C8H10N6S/c1-5-3-6(12-7(9)11-5)15-8-13-10-4-14(8)2/h3-4H,1-2H3,(H2,9,11,12)
InChIKeyXNHCCTWWMVFNEH-UHFFFAOYSA-N
XLogP0.65
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine (CID 80882973) is 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine is Cc1cc(Sc2nncn2C)nc(N)n1.
What is the InChIKey of 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is XNHCCTWWMVFNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S/c1-5-3-6(12-7(9)11-5)15-8-13-10-4-14(8)2/h3-4H,1-2H3,(H2,9,11,12).
What are the key properties of 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 222.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80882973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).