6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C19H17Cl2N3O3 — CID 132561964

IUPAC6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCON1C(=O)NC(c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C1C
InChIInChI=1S/C19H17Cl2N3O3/c1-11-16(18(25)22-13-9-7-12(20)8-10-13)17(23-19(26)24(11)27-2)14-5-3-4-6-15(14)21/h3-10,17H,1-2H3,(H,22,25)(H,23,26)
InChIKeyDPRDQUQSHVCSER-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.53
Rot. Bonds4

About 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 132561964) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID132561964
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCON1C(=O)NC(c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C1C
InChIInChI=1S/C19H17Cl2N3O3/c1-11-16(18(25)22-13-9-7-12(20)8-10-13)17(23-19(26)24(11)27-2)14-5-3-4-6-15(14)21/h3-10,17H,1-2H3,(H,22,25)(H,23,26)
InChIKeyDPRDQUQSHVCSER-UHFFFAOYSA-N
XLogP4.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 132561965
N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 132561966
N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4257039
(6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 1070114
(4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111631
6-(2,3-dimethoxyphenyl)-3,4-dimethyl-2-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 3101103
2-methoxyethyl (6R)-6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2166543
(7R)-7-(2-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136842784
(4R)-4-(2-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124277
4-(2-chlorophenyl)-N-(4-chlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 15991993
methyl (6S)-6-(2-chlorophenyl)-4-methyl-3-(2-methylpropyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 32955320
(7S)-7-(2-chlorophenyl)-6-N-(4-chlorophenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136878532

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 132561964) is 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is CON1C(=O)NC(c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C1C.
What is the InChIKey of 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is DPRDQUQSHVCSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-11-16(18(25)22-13-9-7-12(20)8-10-13)17(23-19(26)24(11)27-2)14-5-3-4-6-15(14)21/h3-10,17H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 132561964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).