(4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide

C18H18N4O2 — CID 41168544

About (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 41168544) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
• PubChem CID: 41168544
• Molecular Formula: C18H18N4O2
• Molecular Weight: 322.37 g/mol
• Exact Mass: 322.14
• IUPAC Name: (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
• SMILES: Cc1ccc(NC2=N[C@@H](C(=O)Nc3ccccc3)CC(=O)N2)cc1
• InChI: InChI=1S/C18H18N4O2/c1-12-7-9-14(10-8-12)20-18-21-15(11-16(23)22-18)17(24)19-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,19,24)(H2,20,21,22,23)/t15-/m1/s1
• InChIKey: CNWCAJKOPWPTJJ-OAHLLOKOSA-N
• XLogP: 2.29
• TPSA: 82.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.37
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The IUPAC name of (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 41168544) is (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The canonical SMILES for (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc(NC2=N[C@@H](C(=O)Nc3ccccc3)CC(=O)N2)cc1.

What is the InChIKey of (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The InChIKey is CNWCAJKOPWPTJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-7-9-14(10-8-12)20-18-21-15(11-16(23)22-18)17(24)19-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,19,24)(H2,20,21,22,23)/t15-/m1/s1.

What are the key properties of (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide?

(4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 41168544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).