(4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H15BrF3N3O2 — CID 41072281

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

(4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 41072281) has the molecular formula C19H15BrF3N3O2 and a molecular weight of 454.25 g/mol. Its IUPAC name is (4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 41072281
• Molecular Formula: C19H15BrF3N3O2
• Molecular Weight: 454.25 g/mol
• Exact Mass: 453.03
• IUPAC Name: (4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1
• InChI: InChI=1S/C19H15BrF3N3O2/c1-10-15(17(27)25-14-8-6-13(20)7-9-14)16(26-18(28)24-10)11-2-4-12(5-3-11)19(21,22)23/h2-9,16H,1H3,(H,25,27)(H2,24,26,28)/t16-/m1/s1
• InChIKey: MJLSHQZHUQLATJ-MRXNPFEDSA-N
• XLogP: 4.73
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.25
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 41072281) is (4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for (4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1.

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

The InChIKey is MJLSHQZHUQLATJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H15BrF3N3O2/c1-10-15(17(27)25-14-8-6-13(20)7-9-14)16(26-18(28)24-10)11-2-4-12(5-3-11)19(21,22)23/h2-9,16H,1H3,(H,25,27)(H2,24,26,28)/t16-/m1/s1.

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

(4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 454.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(4-bromophenyl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 41072281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).