4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile

C19H12F3N3O2 — CID 21089383

IUPAC4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile
SMILESN#Cc1c(OCc2ccc(F)cc2F)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H12F3N3O2/c20-14-3-1-2-12(6-14)9-25-11-24-18(16(8-23)19(25)26)27-10-13-4-5-15(21)7-17(13)22/h1-7,11H,9-10H2
InChIKeyHDNVHLLKPJJXRN-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.16
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile

4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile (PubChem CID 21089383) has the molecular formula C19H12F3N3O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile
PubChem CID21089383
Molecular FormulaC19H12F3N3O2
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile
SMILESN#Cc1c(OCc2ccc(F)cc2F)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H12F3N3O2/c20-14-3-1-2-12(6-14)9-25-11-24-18(16(8-23)19(25)26)27-10-13-4-5-15(21)7-17(13)22/h1-7,11H,9-10H2
InChIKeyHDNVHLLKPJJXRN-UHFFFAOYSA-N
XLogP3.16
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile 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 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile (CID 21089383) is 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile is N#Cc1c(OCc2ccc(F)cc2F)ncn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile?
The InChIKey is HDNVHLLKPJJXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2/c20-14-3-1-2-12(6-14)9-25-11-24-18(16(8-23)19(25)26)27-10-13-4-5-15(21)7-17(13)22/h1-7,11H,9-10H2.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile?
4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile has a molecular weight of 371.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile is sourced from PubChem (CID 21089383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).