6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine

C8H7FN4OS — CID 22134697

IUPAC6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine
SMILESCS(=O)c1ncc2cc(F)c(N)nc2n1
InChIInChI=1S/C8H7FN4OS/c1-15(14)8-11-3-4-2-5(9)6(10)12-7(4)13-8/h2-3H,1H3,(H2,10,11,12,13)
InChIKeyXTSLSQONBOVLCD-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.48
Rot. Bonds1

About 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine

6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 22134697) has the molecular formula C8H7FN4OS and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID22134697
Molecular FormulaC8H7FN4OS
Molecular Weight226.24 g/mol
Exact Mass226.03
IUPAC Name6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine
SMILESCS(=O)c1ncc2cc(F)c(N)nc2n1
InChIInChI=1S/C8H7FN4OS/c1-15(14)8-11-3-4-2-5(9)6(10)12-7(4)13-8/h2-3H,1H3,(H2,10,11,12,13)
InChIKeyXTSLSQONBOVLCD-UHFFFAOYSA-N
XLogP0.48
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
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 ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine (CID 22134697) is 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine is CS(=O)c1ncc2cc(F)c(N)nc2n1.
What is the InChIKey of 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is XTSLSQONBOVLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4OS/c1-15(14)8-11-3-4-2-5(9)6(10)12-7(4)13-8/h2-3H,1H3,(H2,10,11,12,13).
What are the key properties of 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine?
6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 226.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 22134697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).