(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate

C18H15BrN2O3 — CID 5461639

IUPAC(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESO=C1NC(C(=O)OCc2ccc(Br)cc2)=CC(c2ccccc2)N1
InChIInChI=1S/C18H15BrN2O3/c19-14-8-6-12(7-9-14)11-24-17(22)16-10-15(20-18(23)21-16)13-4-2-1-3-5-13/h1-10,15H,11H2,(H2,20,21,23)
InChIKeyKOLOPWOXGQQALB-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.43
Rot. Bonds4

About (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate

(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate (PubChem CID 5461639) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
PubChem CID5461639
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESO=C1NC(C(=O)OCc2ccc(Br)cc2)=CC(c2ccccc2)N1
InChIInChI=1S/C18H15BrN2O3/c19-14-8-6-12(7-9-14)11-24-17(22)16-10-15(20-18(23)21-16)13-4-2-1-3-5-13/h1-10,15H,11H2,(H2,20,21,23)
InChIKeyKOLOPWOXGQQALB-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 2426874
dibenzyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 169409735
benzyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2836937
benzyl 4-bromobenzoate
CID 603177
(4-methylphenyl)methyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 695424
(4-bromophenyl)methyl 2-fluorobenzoate
CID 2347288
benzyl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844560
benzyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4996470
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
trans-(2R,4R)-3-[(4-bromophenyl)methoxycarbonyl]-2,4-diphenylcyclobutane-1-carboxylic acid
CID 156666228
benzyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2836942
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The IUPAC name of (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate (CID 5461639) is (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The canonical SMILES for (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate is O=C1NC(C(=O)OCc2ccc(Br)cc2)=CC(c2ccccc2)N1.
What is the InChIKey of (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The InChIKey is KOLOPWOXGQQALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c19-14-8-6-12(7-9-14)11-24-17(22)16-10-15(20-18(23)21-16)13-4-2-1-3-5-13/h1-10,15H,11H2,(H2,20,21,23).
What are the key properties of (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate?
(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate has a molecular weight of 387.23 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 5461639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).