(4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C22H25N3O3 — CID 7715268

About (4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 7715268) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 7715268
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: (4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1c(C)cc(C)cc1C
• InChI: InChI=1S/C22H25N3O3/c1-12-10-13(2)18(14(3)11-12)20-19(15(4)23-22(27)25-20)21(26)24-16-8-6-7-9-17(16)28-5/h6-11,20H,1-5H3,(H,24,26)(H2,23,25,27)/t20-/m0/s1
• InChIKey: IRDKEYYBNMEOIJ-FQEVSTJZSA-N
• XLogP: 3.89
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 7715268) is (4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for (4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1c(C)cc(C)cc1C.

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

The InChIKey is IRDKEYYBNMEOIJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-12-10-13(2)18(14(3)11-12)20-19(15(4)23-22(27)25-20)21(26)24-16-8-6-7-9-17(16)28-5/h6-11,20H,1-5H3,(H,24,26)(H2,23,25,27)/t20-/m0/s1.

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

(4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7715268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).