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

C11H8F2N2O — CID 86584227

IUPAC4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2ccc(F)c(F)c2)nc(=O)[nH]1
InChIInChI=1S/C11H8F2N2O/c1-6-4-10(15-11(16)14-6)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,14,15,16)
InChIKeySNEULPFGFUJSDN-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.02
Rot. Bonds1

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

4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 86584227) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID86584227
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2ccc(F)c(F)c2)nc(=O)[nH]1
InChIInChI=1S/C11H8F2N2O/c1-6-4-10(15-11(16)14-6)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,14,15,16)
InChIKeySNEULPFGFUJSDN-UHFFFAOYSA-N
XLogP2.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one (CID 86584227) is 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(-c2ccc(F)c(F)c2)nc(=O)[nH]1.
What is the InChIKey of 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is SNEULPFGFUJSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c1-6-4-10(15-11(16)14-6)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one?
4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 222.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 86584227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).