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

C15H18N2O4 — CID 3103521

IUPACethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)C(c2ccc(OC)cc2)NC(=O)N1
InChIInChI=1S/C15H18N2O4/c1-4-21-14(18)13-9(2)12(16-15(19)17-13)10-5-7-11(20-3)8-6-10/h5-8,12H,4H2,1-3H3,(H2,16,17,19)
InChIKeyIKPBAEOYHFNCBN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.89
Rot. Bonds4

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

ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (PubChem CID 3103521) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
PubChem CID3103521
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)C(c2ccc(OC)cc2)NC(=O)N1
InChIInChI=1S/C15H18N2O4/c1-4-21-14(18)13-9(2)12(16-15(19)17-13)10-5-7-11(20-3)8-6-10/h5-8,12H,4H2,1-3H3,(H2,16,17,19)
InChIKeyIKPBAEOYHFNCBN-UHFFFAOYSA-N
XLogP1.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (CID 3103521) is ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)C(c2ccc(OC)cc2)NC(=O)N1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The InChIKey is IKPBAEOYHFNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-21-14(18)13-9(2)12(16-15(19)17-13)10-5-7-11(20-3)8-6-10/h5-8,12H,4H2,1-3H3,(H2,16,17,19).
What are the key properties of ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 3103521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).