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

C20H28N2O5 — CID 110843217

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

propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110843217) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 110843217
• Molecular Formula: C20H28N2O5
• Molecular Weight: 376.45 g/mol
• Exact Mass: 376.20
• IUPAC Name: propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCCC1=C(C(=O)OC(C)C)C(c2cccc(OC)c2OCC)NC(=O)N1
• InChI: InChI=1S/C20H28N2O5/c1-6-9-14-16(19(23)27-12(3)4)17(22-20(24)21-14)13-10-8-11-15(25-5)18(13)26-7-2/h8,10-12,17H,6-7,9H2,1-5H3,(H2,21,22,24)
• InChIKey: GXORMIDLUCMLAE-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.45
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110843217) is propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

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

The canonical SMILES for propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCC1=C(C(=O)OC(C)C)C(c2cccc(OC)c2OCC)NC(=O)N1.

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

The InChIKey is GXORMIDLUCMLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-6-9-14-16(19(23)27-12(3)4)17(22-20(24)21-14)13-10-8-11-15(25-5)18(13)26-7-2/h8,10-12,17H,6-7,9H2,1-5H3,(H2,21,22,24).

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

propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110843217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).