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

C7H7FN6S — CID 80883190

IUPAC5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
SMILESCn1cnnc1Sc1nc(N)ncc1F
InChIInChI=1S/C7H7FN6S/c1-14-3-11-13-7(14)15-5-4(8)2-10-6(9)12-5/h2-3H,1H3,(H2,9,10,12)
InChIKeySNGQMLCJDPHEIZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.48
Rot. Bonds2

About 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine

5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80883190) has the molecular formula C7H7FN6S and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80883190
Molecular FormulaC7H7FN6S
Molecular Weight226.24 g/mol
Exact Mass226.04
IUPAC Name5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
SMILESCn1cnnc1Sc1nc(N)ncc1F
InChIInChI=1S/C7H7FN6S/c1-14-3-11-13-7(14)15-5-4(8)2-10-6(9)12-5/h2-3H,1H3,(H2,9,10,12)
InChIKeySNGQMLCJDPHEIZ-UHFFFAOYSA-N
XLogP0.48
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine (CID 80883190) is 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine is Cn1cnnc1Sc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is SNGQMLCJDPHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN6S/c1-14-3-11-13-7(14)15-5-4(8)2-10-6(9)12-5/h2-3H,1H3,(H2,9,10,12).
What are the key properties of 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 226.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80883190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).