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

C20H20N2O3 — CID 2847124

IUPACethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-25-19(23)17-13(2)21-20(24)22-18(17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H2,21,22,24)
InChIKeyOVDBCSFTRVIBHF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.54
Rot. Bonds4

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

ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2847124) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2847124
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-25-19(23)17-13(2)21-20(24)22-18(17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H2,21,22,24)
InChIKeyOVDBCSFTRVIBHF-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2847124) is ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is OVDBCSFTRVIBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-25-19(23)17-13(2)21-20(24)22-18(17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H2,21,22,24).
What are the key properties of ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2847124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).