5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine

C7H7FN6S — CID 80884918

IUPAC5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncn[nH]2)n1
InChIInChI=1S/C7H7FN6S/c1-9-6-10-2-4(8)5(13-6)15-7-11-3-12-14-7/h2-3H,1H3,(H,9,10,13)(H,11,12,14)
InChIKeyLAIHYQYJGIHHDQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.93
Rot. Bonds3

About 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine

5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine (PubChem CID 80884918) has the molecular formula C7H7FN6S and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine
PubChem CID80884918
Molecular FormulaC7H7FN6S
Molecular Weight226.24 g/mol
Exact Mass226.04
IUPAC Name5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncn[nH]2)n1
InChIInChI=1S/C7H7FN6S/c1-9-6-10-2-4(8)5(13-6)15-7-11-3-12-14-7/h2-3H,1H3,(H,9,10,13)(H,11,12,14)
InChIKeyLAIHYQYJGIHHDQ-UHFFFAOYSA-N
XLogP0.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)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 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine (CID 80884918) is 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine is CNc1ncc(F)c(Sc2ncn[nH]2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is LAIHYQYJGIHHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN6S/c1-9-6-10-2-4(8)5(13-6)15-7-11-3-12-14-7/h2-3H,1H3,(H,9,10,13)(H,11,12,14).
What are the key properties of 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 226.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80884918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).