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

C20H20N2O3 — CID 71552198

IUPAC(2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2C)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C20H20N2O3/c1-13-8-6-7-11-16(13)12-25-19(23)17-14(2)21-20(24)22-18(17)15-9-4-3-5-10-15/h3-11,18H,12H2,1-2H3,(H2,21,22,24)
InChIKeyWEHMWNUQBWOFMS-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.37
Rot. Bonds4

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

(2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 71552198) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID71552198
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2C)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C20H20N2O3/c1-13-8-6-7-11-16(13)12-25-19(23)17-14(2)21-20(24)22-18(17)15-9-4-3-5-10-15/h3-11,18H,12H2,1-2H3,(H2,21,22,24)
InChIKeyWEHMWNUQBWOFMS-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 71552198) is (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OCc2ccccc2C)C(c2ccccc2)NC(=O)N1.
What is the InChIKey of (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is WEHMWNUQBWOFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-8-6-7-11-16(13)12-25-19(23)17-14(2)21-20(24)22-18(17)15-9-4-3-5-10-15/h3-11,18H,12H2,1-2H3,(H2,21,22,24).
What are the key properties of (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
(2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 71552198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).