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

C20H19BrClN3O4 — CID 4770390

IUPAC4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(Br)cc2)c(OC)cc1Cl
InChIInChI=1S/C20H19BrClN3O4/c1-10-17(18(25-20(27)23-10)11-4-6-12(21)7-5-11)19(26)24-14-9-15(28-2)13(22)8-16(14)29-3/h4-9,18H,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyIMHWDKCWRKQXEM-UHFFFAOYSA-N
MW480.75 g/mol
LogP4.39
Rot. Bonds5

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

4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 4770390) has the molecular formula C20H19BrClN3O4 and a molecular weight of 480.75 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID4770390
Molecular FormulaC20H19BrClN3O4
Molecular Weight480.75 g/mol
Exact Mass479.02
IUPAC Name4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(Br)cc2)c(OC)cc1Cl
InChIInChI=1S/C20H19BrClN3O4/c1-10-17(18(25-20(27)23-10)11-4-6-12(21)7-5-11)19(26)24-14-9-15(28-2)13(22)8-16(14)29-3/h4-9,18H,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyIMHWDKCWRKQXEM-UHFFFAOYSA-N
XLogP4.39
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.75
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25304090
(4S)-N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41201169
(4S)-4-(4-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1352632
(4R)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1298755
4-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2909603
N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2861522
(4S)-N-(2,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158903
N-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23935233
(4R)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 6990215
(4R)-N-(4-bromophenyl)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111572
(4R)-4-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 980702
4-(5-bromo-2-methoxyphenyl)-N-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3348205

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 4770390) is 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1cc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(Br)cc2)c(OC)cc1Cl.
What is the InChIKey of 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is IMHWDKCWRKQXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O4/c1-10-17(18(25-20(27)23-10)11-4-6-12(21)7-5-11)19(26)24-14-9-15(28-2)13(22)8-16(14)29-3/h4-9,18H,1-3H3,(H,24,26)(H2,23,25,27).
What are the key properties of 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 480.75 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4770390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).