1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine

C16H16FN5S — CID 2321431

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine
SMILESCc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1
InChIInChI=1S/C16H16FN5S/c1-9-8-10(2)20-16(19-9)22-15(18)14(11(3)21-22)23-13-6-4-12(17)5-7-13/h4-8H,18H2,1-3H3
InChIKeyUHKSHIBWGZYKCL-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.46
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine

1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine (PubChem CID 2321431) has the molecular formula C16H16FN5S and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine
PubChem CID2321431
Molecular FormulaC16H16FN5S
Molecular Weight329.40 g/mol
Exact Mass329.11
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine
SMILESCc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1
InChIInChI=1S/C16H16FN5S/c1-9-8-10(2)20-16(19-9)22-15(18)14(11(3)21-22)23-13-6-4-12(17)5-7-13/h4-8H,18H2,1-3H3
InChIKeyUHKSHIBWGZYKCL-UHFFFAOYSA-N
XLogP3.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine (CID 2321431) is 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine is Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine?
The InChIKey is UHKSHIBWGZYKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5S/c1-9-8-10(2)20-16(19-9)22-15(18)14(11(3)21-22)23-13-6-4-12(17)5-7-13/h4-8H,18H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine?
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine has a molecular weight of 329.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-amine is sourced from PubChem (CID 2321431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).