(4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H20ClN3O3 — CID 35139481

IUPAC(4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C20H20ClN3O3/c1-11-15(21)5-4-6-16(11)23-19(25)17-12(2)22-20(26)24-18(17)13-7-9-14(27-3)10-8-13/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)/t18-/m1/s1
InChIKeyHGINCRIHDOXUEZ-GOSISDBHSA-N
MW385.85 g/mol
LogP3.92
Rot. Bonds4

About (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 35139481) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID35139481
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name(4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C20H20ClN3O3/c1-11-15(21)5-4-6-16(11)23-19(25)17-12(2)22-20(26)24-18(17)13-7-9-14(27-3)10-8-13/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)/t18-/m1/s1
InChIKeyHGINCRIHDOXUEZ-GOSISDBHSA-N
XLogP3.92
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2849941
4-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2909603
(4R)-N-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1128021
(4S)-4-(4-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1352632
N-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2866647
(4R)-4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7720759
(4R)-4-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1333037
N-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23935233
(4R)-4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1068666
(4R)-4-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989849
N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4603454
(4R)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 6990215

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 35139481) is (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is HGINCRIHDOXUEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-11-15(21)5-4-6-16(11)23-19(25)17-12(2)22-20(26)24-18(17)13-7-9-14(27-3)10-8-13/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)/t18-/m1/s1.
What are the key properties of (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 35139481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).