6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one

C14H14F2N2O2 — CID 69351805

IUPAC6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cnc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C14H14F2N2O2/c1-9(2)18-8-17-13(6-14(18)19)20-7-10-3-4-11(15)5-12(10)16/h3-6,8-9H,7H2,1-2H3
InChIKeyNGOMHENGPATQKC-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.68
Rot. Bonds4

About 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one

6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one (PubChem CID 69351805) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
PubChem CID69351805
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cnc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C14H14F2N2O2/c1-9(2)18-8-17-13(6-14(18)19)20-7-10-3-4-11(15)5-12(10)16/h3-6,8-9H,7H2,1-2H3
InChIKeyNGOMHENGPATQKC-UHFFFAOYSA-N
XLogP2.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-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-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one (CID 69351805) is 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one is CC(C)n1cnc(OCc2ccc(F)cc2F)cc1=O.
What is the InChIKey of 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one?
The InChIKey is NGOMHENGPATQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-9(2)18-8-17-13(6-14(18)19)20-7-10-3-4-11(15)5-12(10)16/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one?
6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one has a molecular weight of 280.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 69351805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).