6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one

C11H10F2N2O — CID 54021938

IUPAC6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one
SMILESCN1C=CC(c2ccc(F)c(F)c2)NC1=O
InChIInChI=1S/C11H10F2N2O/c1-15-5-4-10(14-11(15)16)7-2-3-8(12)9(13)6-7/h2-6,10H,1H3,(H,14,16)
InChIKeyKZNJOMHKUYIVGD-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.17
Rot. Bonds1

About 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one

6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one (PubChem CID 54021938) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one
PubChem CID54021938
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one
SMILESCN1C=CC(c2ccc(F)c(F)c2)NC1=O
InChIInChI=1S/C11H10F2N2O/c1-15-5-4-10(14-11(15)16)7-2-3-8(12)9(13)6-7/h2-6,10H,1H3,(H,14,16)
InChIKeyKZNJOMHKUYIVGD-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one (CID 54021938) is 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one is CN1C=CC(c2ccc(F)c(F)c2)NC1=O.
What is the InChIKey of 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one?
The InChIKey is KZNJOMHKUYIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-15-5-4-10(14-11(15)16)7-2-3-8(12)9(13)6-7/h2-6,10H,1H3,(H,14,16).
What are the key properties of 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one?
6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one has a molecular weight of 224.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 54021938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).