propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C26H32N2O6 — CID 110844177

About propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110844177) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 110844177
• Molecular Formula: C26H32N2O6
• Molecular Weight: 468.55 g/mol
• Exact Mass: 468.23
• IUPAC Name: propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCCOc1ccc(C2NC(=O)NC(c3ccc(OC)cc3)=C2C(=O)OC(C)C)cc1OCC
• InChI: InChI=1S/C26H32N2O6/c1-6-14-33-20-13-10-18(15-21(20)32-7-2)24-22(25(29)34-16(3)4)23(27-26(30)28-24)17-8-11-19(31-5)12-9-17/h8-13,15-16,24H,6-7,14H2,1-5H3,(H2,27,28,30)
• InChIKey: CADKDDLKQUZAFR-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 95.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110844177) is propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCOc1ccc(C2NC(=O)NC(c3ccc(OC)cc3)=C2C(=O)OC(C)C)cc1OCC.

What is the InChIKey of propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is CADKDDLKQUZAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-6-14-33-20-13-10-18(15-21(20)32-7-2)24-22(25(29)34-16(3)4)23(27-26(30)28-24)17-8-11-19(31-5)12-9-17/h8-13,15-16,24H,6-7,14H2,1-5H3,(H2,27,28,30).

What are the key properties of propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 468.55 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 4-(3-ethoxy-4-propoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110844177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).