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

C18H15BrClN3O2 — CID 4257039

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

N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 4257039) has the molecular formula C18H15BrClN3O2 and a molecular weight of 420.69 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 4257039
• Molecular Formula: C18H15BrClN3O2
• Molecular Weight: 420.69 g/mol
• Exact Mass: 419.00
• IUPAC Name: N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(Br)cc2)C(c2ccccc2Cl)NC(=O)N1
• InChI: InChI=1S/C18H15BrClN3O2/c1-10-15(17(24)22-12-8-6-11(19)7-9-12)16(23-18(25)21-10)13-4-2-3-5-14(13)20/h2-9,16H,1H3,(H,22,24)(H2,21,23,25)
• InChIKey: ZINOKAZDNJMYGJ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.69
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 4257039) is N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(Br)cc2)C(c2ccccc2Cl)NC(=O)N1.

What is the InChIKey of N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is ZINOKAZDNJMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O2/c1-10-15(17(24)22-12-8-6-11(19)7-9-12)16(23-18(25)21-10)13-4-2-3-5-14(13)20/h2-9,16H,1H3,(H,22,24)(H2,21,23,25).

What are the key properties of N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

N-(4-bromophenyl)-4-(2-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 N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4257039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).