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

C15H18N2O3 — CID 10754787

IUPACethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=CC(c2cc(C)cc(C)c2)NC(=O)N1
InChIInChI=1S/C15H18N2O3/c1-4-20-14(18)13-8-12(16-15(19)17-13)11-6-9(2)5-10(3)7-11/h5-8,12H,4H2,1-3H3,(H2,16,17,19)
InChIKeyBLMCZFJMJAPVHA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.10
Rot. Bonds3

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

ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (PubChem CID 10754787) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
PubChem CID10754787
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=CC(c2cc(C)cc(C)c2)NC(=O)N1
InChIInChI=1S/C15H18N2O3/c1-4-20-14(18)13-8-12(16-15(19)17-13)11-6-9(2)5-10(3)7-11/h5-8,12H,4H2,1-3H3,(H2,16,17,19)
InChIKeyBLMCZFJMJAPVHA-UHFFFAOYSA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 10735953
4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
CID 2763318
(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 5461639
ethyl (4S)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1202613
ethyl 4-(3,5-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11858750
ethyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 803073
ethyl 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102414677
ethyl (4S)-4-(4-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 867966
ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4293970
ethyl (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7584002
ethyl (4S)-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7720762
ethyl 4-ethyl-2-oxo-6-[(2,4,6-trimethylphenyl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18206280

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (CID 10754787) is ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is CCOC(=O)C1=CC(c2cc(C)cc(C)c2)NC(=O)N1.
What is the InChIKey of ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The InChIKey is BLMCZFJMJAPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-14(18)13-8-12(16-15(19)17-13)11-6-9(2)5-10(3)7-11/h5-8,12H,4H2,1-3H3,(H2,16,17,19).
What are the key properties of ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 10754787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).