6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one

C12H12FN3O2S — CID 145210098

IUPAC6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one
SMILESCOc1ccccc1Sc1c(N)nc(F)n(C)c1=O
InChIInChI=1S/C12H12FN3O2S/c1-16-11(17)9(10(14)15-12(16)13)19-8-6-4-3-5-7(8)18-2/h3-6H,14H2,1-2H3
InChIKeyOBVRVMNQDWYORT-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.66
Rot. Bonds3

About 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one

6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one (PubChem CID 145210098) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one
PubChem CID145210098
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one
SMILESCOc1ccccc1Sc1c(N)nc(F)n(C)c1=O
InChIInChI=1S/C12H12FN3O2S/c1-16-11(17)9(10(14)15-12(16)13)19-8-6-4-3-5-7(8)18-2/h3-6H,14H2,1-2H3
InChIKeyOBVRVMNQDWYORT-UHFFFAOYSA-N
XLogP1.66
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one?
The IUPAC name of 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one (CID 145210098) is 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one is COc1ccccc1Sc1c(N)nc(F)n(C)c1=O.
What is the InChIKey of 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one?
The InChIKey is OBVRVMNQDWYORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-16-11(17)9(10(14)15-12(16)13)19-8-6-4-3-5-7(8)18-2/h3-6H,14H2,1-2H3.
What are the key properties of 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one?
6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one has a molecular weight of 281.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 145210098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).