4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one

C11H9F2N3O — CID 86578935

IUPAC4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one
SMILESCn1c(-c2ccc(F)c(F)c2)cc(N)nc1=O
InChIInChI=1S/C11H9F2N3O/c1-16-9(5-10(14)15-11(16)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15,17)
InChIKeyXJWNLSHHORGLJD-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.31
Rot. Bonds1

About 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one

4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one (PubChem CID 86578935) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one
PubChem CID86578935
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one
SMILESCn1c(-c2ccc(F)c(F)c2)cc(N)nc1=O
InChIInChI=1S/C11H9F2N3O/c1-16-9(5-10(14)15-11(16)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15,17)
InChIKeyXJWNLSHHORGLJD-UHFFFAOYSA-N
XLogP1.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one?
The IUPAC name of 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one (CID 86578935) is 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one is Cn1c(-c2ccc(F)c(F)c2)cc(N)nc1=O.
What is the InChIKey of 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one?
The InChIKey is XJWNLSHHORGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-16-9(5-10(14)15-11(16)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15,17).
What are the key properties of 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one?
4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one has a molecular weight of 237.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3,4-difluorophenyl)-1-methylpyrimidin-2-one is sourced from PubChem (CID 86578935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).