5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine

C9H10FN5S — CID 80892184

IUPAC5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cnn(C)c2)n1
InChIInChI=1S/C9H10FN5S/c1-11-9-12-4-7(10)8(14-9)16-6-3-13-15(2)5-6/h3-5H,1-2H3,(H,11,12,14)
InChIKeyKKWQLDWNDJLEPV-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.54
Rot. Bonds3

About 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine

5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine (PubChem CID 80892184) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
PubChem CID80892184
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC Name5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cnn(C)c2)n1
InChIInChI=1S/C9H10FN5S/c1-11-9-12-4-7(10)8(14-9)16-6-3-13-15(2)5-6/h3-5H,1-2H3,(H,11,12,14)
InChIKeyKKWQLDWNDJLEPV-UHFFFAOYSA-N
XLogP1.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine (CID 80892184) is 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine is CNc1ncc(F)c(Sc2cnn(C)c2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The InChIKey is KKWQLDWNDJLEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/c1-11-9-12-4-7(10)8(14-9)16-6-3-13-15(2)5-6/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80892184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).