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

C18H15BrClN3O2 — CID 1111631

IUPAC(4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Br)NC(=O)N1
InChIInChI=1S/C18H15BrClN3O2/c1-10-15(17(24)22-12-8-6-11(20)7-9-12)16(23-18(25)21-10)13-4-2-3-5-14(13)19/h2-9,16H,1H3,(H,22,24)(H2,21,23,25)/t16-/m0/s1
InChIKeyWOYKNLBOOCYXDE-INIZCTEOSA-N
MW420.69 g/mol
LogP4.37
Rot. Bonds3

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

(4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 1111631) has the molecular formula C18H15BrClN3O2 and a molecular weight of 420.69 g/mol. Its IUPAC name is (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID1111631
Molecular FormulaC18H15BrClN3O2
Molecular Weight420.69 g/mol
Exact Mass419.00
IUPAC Name(4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Br)NC(=O)N1
InChIInChI=1S/C18H15BrClN3O2/c1-10-15(17(24)22-12-8-6-11(20)7-9-12)16(23-18(25)21-10)13-4-2-3-5-14(13)19/h2-9,16H,1H3,(H,22,24)(H2,21,23,25)/t16-/m0/s1
InChIKeyWOYKNLBOOCYXDE-INIZCTEOSA-N
XLogP4.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4257039
(4S)-4-(2-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40816986
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2861522
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349
(4S)-4-(2-bromophenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1291744
(4R)-N-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1083615
(4S)-4-(2,4-dichlorophenyl)-N-(4-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1184002
(4S)-4-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8652783
(4S)-4-(2,6-dichlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1235054
(4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858300
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 (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 1111631) is (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Br)NC(=O)N1.
What is the InChIKey of (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is WOYKNLBOOCYXDE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15BrClN3O2/c1-10-15(17(24)22-12-8-6-11(20)7-9-12)16(23-18(25)21-10)13-4-2-3-5-14(13)19/h2-9,16H,1H3,(H,22,24)(H2,21,23,25)/t16-/m0/s1.
What are the key properties of (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 420.69 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 1111631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).