(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone

C13H12FN3OS — CID 24896627

IUPAC(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone
SMILESCSc1nc(N)c(C)c(C(=O)c2cccc(F)c2)n1
InChIInChI=1S/C13H12FN3OS/c1-7-10(16-13(19-2)17-12(7)15)11(18)8-4-3-5-9(14)6-8/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyUYDFTOMIHWNWBH-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.46
Rot. Bonds3

About (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone

(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone (PubChem CID 24896627) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone
PubChem CID24896627
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC Name(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone
SMILESCSc1nc(N)c(C)c(C(=O)c2cccc(F)c2)n1
InChIInChI=1S/C13H12FN3OS/c1-7-10(16-13(19-2)17-12(7)15)11(18)8-4-3-5-9(14)6-8/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyUYDFTOMIHWNWBH-UHFFFAOYSA-N
XLogP2.46
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone (CID 24896627) is (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone is CSc1nc(N)c(C)c(C(=O)c2cccc(F)c2)n1.
What is the InChIKey of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone?
The InChIKey is UYDFTOMIHWNWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-7-10(16-13(19-2)17-12(7)15)11(18)8-4-3-5-9(14)6-8/h3-6H,1-2H3,(H2,15,16,17).
What are the key properties of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone?
(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone has a molecular weight of 277.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 24896627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).