(4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H20F3N3O4 — CID 41114782

IUPAC(4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C21H20F3N3O4/c1-11-17(19(28)26-13-6-4-5-12(9-13)21(22,23)24)18(27-20(29)25-11)15-8-7-14(30-2)10-16(15)31-3/h4-10,18H,1-3H3,(H,26,28)(H2,25,27,29)/t18-/m1/s1
InChIKeyGSETXZBHMUVCIC-GOSISDBHSA-N
MW435.40 g/mol
LogP3.99
Rot. Bonds5

About (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 41114782) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID41114782
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name(4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C21H20F3N3O4/c1-11-17(19(28)26-13-6-4-5-12(9-13)21(22,23)24)18(27-20(29)25-11)15-8-7-14(30-2)10-16(15)31-3/h4-10,18H,1-3H3,(H,26,28)(H2,25,27,29)/t18-/m1/s1
InChIKeyGSETXZBHMUVCIC-GOSISDBHSA-N
XLogP3.99
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-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

Related Compounds

4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3931022
(4S)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41114796
4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4992882
6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3956275
(4S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1342509
(4S)-4-(2,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7157518
(4S)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401843
(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401847
acetic acid;4-(2,4-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2980594
4-(2-methoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 19616192
(4S)-4-(3-fluorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7860298
(4S)-4-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1349125

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 41114782) is (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1.
What is the InChIKey of (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is GSETXZBHMUVCIC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-11-17(19(28)26-13-6-4-5-12(9-13)21(22,23)24)18(27-20(29)25-11)15-8-7-14(30-2)10-16(15)31-3/h4-10,18H,1-3H3,(H,26,28)(H2,25,27,29)/t18-/m1/s1.
What are the key properties of (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 41114782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).