(6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C19H16BrCl2N3O2 — CID 1070114

IUPAC(6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1C
InChIInChI=1S/C19H16BrCl2N3O2/c1-10-16(18(26)23-13-6-3-11(20)4-7-13)17(24-19(27)25(10)2)14-8-5-12(21)9-15(14)22/h3-9,17H,1-2H3,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyOHLYRHPNLXHFCZ-QGZVFWFLSA-N
MW469.17 g/mol
LogP5.36
Rot. Bonds3

About (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

(6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 1070114) has the molecular formula C19H16BrCl2N3O2 and a molecular weight of 469.17 g/mol. Its IUPAC name is (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID1070114
Molecular FormulaC19H16BrCl2N3O2
Molecular Weight469.17 g/mol
Exact Mass466.98
IUPAC Name(6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1C
InChIInChI=1S/C19H16BrCl2N3O2/c1-10-16(18(26)23-13-6-3-11(20)4-7-13)17(24-19(27)25(10)2)14-8-5-12(21)9-15(14)22/h3-9,17H,1-2H3,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyOHLYRHPNLXHFCZ-QGZVFWFLSA-N
XLogP5.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.17
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide with MolForge

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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
6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 132561964
N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4257039
(4S)-4-(2,4-dichlorophenyl)-N-(4-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1184002
(4R)-4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111485
(4S)-4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111486
N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2861522
6-(2,3-dimethoxyphenyl)-3,4-dimethyl-2-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 3101103
(4S)-4-(2,4-dichlorophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1324128
4-(5-bromo-2-hydroxyphenyl)-N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860864
(6S)-N-(3,4-difluorophenyl)-3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 9449450
methyl 6-(2,4-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2966171

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 1070114) is (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1C.
What is the InChIKey of (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is OHLYRHPNLXHFCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16BrCl2N3O2/c1-10-16(18(26)23-13-6-3-11(20)4-7-13)17(24-19(27)25(10)2)14-8-5-12(21)9-15(14)22/h3-9,17H,1-2H3,(H,23,26)(H,24,27)/t17-/m1/s1.
What are the key properties of (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
(6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 469.17 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-bromophenyl)-6-(2,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 1070114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).