(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C20H20N2O4 — CID 2854688

IUPAC(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccccc2)cc1
InChIInChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,18H,12H2,1-2H3,(H2,21,22,24)
InChIKeyUYAOSISJVXIDNR-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.07
Rot. Bonds5

About (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2854688) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2854688
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccccc2)cc1
InChIInChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,18H,12H2,1-2H3,(H2,21,22,24)
InChIKeyUYAOSISJVXIDNR-UHFFFAOYSA-N
XLogP3.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2854688) is (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is UYAOSISJVXIDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,18H,12H2,1-2H3,(H2,21,22,24).
What are the key properties of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2854688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).