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

C19H17Cl2N3O2 — CID 7430706

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

(4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 7430706) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is (4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 7430706
• Molecular Formula: C19H17Cl2N3O2
• Molecular Weight: 390.27 g/mol
• Exact Mass: 389.07
• IUPAC Name: (4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(Cl)cc2)NC(=O)N1
• InChI: InChI=1S/C19H17Cl2N3O2/c1-10-3-6-14(21)9-15(10)23-18(25)16-11(2)22-19(26)24-17(16)12-4-7-13(20)8-5-12/h3-9,17H,1-2H3,(H,23,25)(H2,22,24,26)/t17-/m0/s1
• InChIKey: NISZBEVTTILJQT-KRWDZBQOSA-N
• XLogP: 4.57
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.27
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 7430706) is (4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for (4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(Cl)cc2)NC(=O)N1.

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

The InChIKey is NISZBEVTTILJQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-10-3-6-14(21)9-15(10)23-18(25)16-11(2)22-19(26)24-17(16)12-4-7-13(20)8-5-12/h3-9,17H,1-2H3,(H,23,25)(H2,22,24,26)/t17-/m0/s1.

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

(4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 4.57, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7430706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).