propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C25H30N2O5 — CID 110846336

About propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110846336) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 110846336
• Molecular Formula: C25H30N2O5
• Molecular Weight: 438.52 g/mol
• Exact Mass: 438.22
• IUPAC Name: propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCC1=C(C(=O)OC(C)C)C(c2cccc(OC)c2OCc2cccc(C)c2)NC(=O)N1
• InChI: InChI=1S/C25H30N2O5/c1-6-19-21(24(28)32-15(2)3)22(27-25(29)26-19)18-11-8-12-20(30-5)23(18)31-14-17-10-7-9-16(4)13-17/h7-13,15,22H,6,14H2,1-5H3,(H2,26,27,29)
• InChIKey: VFRUDTMUYQUQDT-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.52
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110846336) is propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCC1=C(C(=O)OC(C)C)C(c2cccc(OC)c2OCc2cccc(C)c2)NC(=O)N1.

What is the InChIKey of propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is VFRUDTMUYQUQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-6-19-21(24(28)32-15(2)3)22(27-25(29)26-19)18-11-8-12-20(30-5)23(18)31-14-17-10-7-9-16(4)13-17/h7-13,15,22H,6,14H2,1-5H3,(H2,26,27,29).

What are the key properties of propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 6-ethyl-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110846336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).