4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H21N3O4S — CID 155952458

About 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 155952458) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 155952458
• Molecular Formula: C19H21N3O4S
• Molecular Weight: 387.46 g/mol
• Exact Mass: 387.13
• IUPAC Name: 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: COCc1csc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c1
• InChI: InChI=1S/C19H21N3O4S/c1-11-16(18(23)21-13-6-4-5-7-14(13)26-3)17(22-19(24)20-11)15-8-12(9-25-2)10-27-15/h4-8,10,17H,9H2,1-3H3,(H,21,23)(H2,20,22,24)
• InChIKey: IYTQRNBWXHOXNQ-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 88.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.46
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 155952458) is 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COCc1csc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c1.

What is the InChIKey of 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is IYTQRNBWXHOXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-11-16(18(23)21-13-6-4-5-7-14(13)26-3)17(22-19(24)20-11)15-8-12(9-25-2)10-27-15/h4-8,10,17H,9H2,1-3H3,(H,21,23)(H2,20,22,24).

What are the key properties of 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(methoxymethyl)thiophen-2-yl]-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 155952458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).