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

C10H10FN5S — CID 80892497

IUPAC5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nccc(C)n2)n1
InChIInChI=1S/C10H10FN5S/c1-6-3-4-13-10(15-6)17-8-7(11)5-14-9(12-2)16-8/h3-5H,1-2H3,(H,12,14,16)
InChIKeyZMWGDKMFEUSWOM-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.91
Rot. Bonds3

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

5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80892497) has the molecular formula C10H10FN5S and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80892497
Molecular FormulaC10H10FN5S
Molecular Weight251.29 g/mol
Exact Mass251.06
IUPAC Name5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nccc(C)n2)n1
InChIInChI=1S/C10H10FN5S/c1-6-3-4-13-10(15-6)17-8-7(11)5-14-9(12-2)16-8/h3-5H,1-2H3,(H,12,14,16)
InChIKeyZMWGDKMFEUSWOM-UHFFFAOYSA-N
XLogP1.91
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.91
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-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 80892497) is 5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is CNc1ncc(F)c(Sc2nccc(C)n2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is ZMWGDKMFEUSWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5S/c1-6-3-4-13-10(15-6)17-8-7(11)5-14-9(12-2)16-8/h3-5H,1-2H3,(H,12,14,16).
What are the key properties of 5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 1.91, 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-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80892497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).