4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H20FN3O4 — CID 3156015

IUPAC4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3O4/c1-11-17(19(25)23-13-6-4-12(21)5-7-13)18(24-20(26)22-11)15-10-14(27-2)8-9-16(15)28-3/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)
InChIKeyBAGZCKMBISUBMT-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.11
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 3156015) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID3156015
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3O4/c1-11-17(19(25)23-13-6-4-12(21)5-7-13)18(24-20(26)22-11)15-10-14(27-2)8-9-16(15)28-3/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)
InChIKeyBAGZCKMBISUBMT-UHFFFAOYSA-N
XLogP3.11
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 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-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 3156015) is 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is BAGZCKMBISUBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-11-17(19(25)23-13-6-4-12(21)5-7-13)18(24-20(26)22-11)15-10-14(27-2)8-9-16(15)28-3/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26).
What are the key properties of 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3156015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).