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

C21H23N3O4 — CID 1103314

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

(4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 1103314) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 1103314
• Molecular Formula: C21H23N3O4
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.17
• IUPAC Name: (4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)c1OC
• InChI: InChI=1S/C21H23N3O4/c1-12-7-5-8-14(11-12)23-20(25)17-13(2)22-21(26)24-18(17)15-9-6-10-16(27-3)19(15)28-4/h5-11,18H,1-4H3,(H,23,25)(H2,22,24,26)/t18-/m0/s1
• InChIKey: NJMKTRGTJDZVCT-SFHVURJKSA-N
• XLogP: 3.28
• TPSA: 88.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 1103314) is (4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for (4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)c1OC.

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

The InChIKey is NJMKTRGTJDZVCT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-12-7-5-8-14(11-12)23-20(25)17-13(2)22-21(26)24-18(17)15-9-6-10-16(27-3)19(15)28-4/h5-11,18H,1-4H3,(H,23,25)(H2,22,24,26)/t18-/m0/s1.

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

(4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 1103314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).