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

C25H30N2O4 — CID 110844900

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

propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110844900) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 110844900
• Molecular Formula: C25H30N2O4
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.22
• IUPAC Name: propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: Cc1ccc(COc2ccccc2C2NC(=O)NC(C(C)C)=C2C(=O)OC(C)C)cc1
• InChI: InChI=1S/C25H30N2O4/c1-15(2)22-21(24(28)31-16(3)4)23(27-25(29)26-22)19-8-6-7-9-20(19)30-14-18-12-10-17(5)11-13-18/h6-13,15-16,23H,14H2,1-5H3,(H2,26,27,29)
• InChIKey: HNXZAANGILVNRW-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110844900) is propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

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

The canonical SMILES for propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is Cc1ccc(COc2ccccc2C2NC(=O)NC(C(C)C)=C2C(=O)OC(C)C)cc1.

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

The InChIKey is HNXZAANGILVNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-15(2)22-21(24(28)31-16(3)4)23(27-25(29)26-22)19-8-6-7-9-20(19)30-14-18-12-10-17(5)11-13-18/h6-13,15-16,23H,14H2,1-5H3,(H2,26,27,29).

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

propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 4-[2-[(4-methylphenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110844900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).