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

C9H8FN5S — CID 80892499

IUPAC5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCc1ccnc(Sc2nc(N)ncc2F)n1
InChIInChI=1S/C9H8FN5S/c1-5-2-3-12-9(14-5)16-7-6(10)4-13-8(11)15-7/h2-4H,1H3,(H2,11,13,15)
InChIKeyYRSBJXFZTSYSBJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.45
Rot. Bonds2

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

5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80892499) has the molecular formula C9H8FN5S and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80892499
Molecular FormulaC9H8FN5S
Molecular Weight237.26 g/mol
Exact Mass237.05
IUPAC Name5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCc1ccnc(Sc2nc(N)ncc2F)n1
InChIInChI=1S/C9H8FN5S/c1-5-2-3-12-9(14-5)16-7-6(10)4-13-8(11)15-7/h2-4H,1H3,(H2,11,13,15)
InChIKeyYRSBJXFZTSYSBJ-UHFFFAOYSA-N
XLogP1.45
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 80892499) is 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is Cc1ccnc(Sc2nc(N)ncc2F)n1.
What is the InChIKey of 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is YRSBJXFZTSYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5S/c1-5-2-3-12-9(14-5)16-7-6(10)4-13-8(11)15-7/h2-4H,1H3,(H2,11,13,15).
What are the key properties of 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80892499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).