ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate

C11H14N2O4 — CID 162426049

IUPACethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)n(CC2CC2)c1=O
InChIInChI=1S/C11H14N2O4/c1-2-17-10(15)8-5-12-11(16)13(9(8)14)6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,12,16)
InChIKeyHSJNWCQVQVTRAY-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.12
Rot. Bonds4

About ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate

ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 162426049) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID162426049
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)n(CC2CC2)c1=O
InChIInChI=1S/C11H14N2O4/c1-2-17-10(15)8-5-12-11(16)13(9(8)14)6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,12,16)
InChIKeyHSJNWCQVQVTRAY-UHFFFAOYSA-N
XLogP0.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-3-[2-(4-methylcyclohexyl)ethyl]-1H-pyrimidine-2,4-dione
CID 80643712
ethyl 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 90379201
ethyl 2-(2-ethylsulfonylethyl)-3-oxo-1H-pyrazole-4-carboxylate
CID 82995312
ethyl 1-(cyclopropylmethyl)-3-iodopyrazole-4-carboxylate
CID 153484158
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate
CID 165436337
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
5-acetyl-3-(2-butoxyethyl)-1H-pyrimidine-2,4-dione
CID 80643776
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
CID 123582149
diethyl 2-ethyl-1H-pyrrole-3,4-dicarboxylate
CID 121015698
ethyl 5-acetyl-4-methyl-1H-pyrrole-3-carboxylate
CID 44718470
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 57360922

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 162426049) is ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1c[nH]c(=O)n(CC2CC2)c1=O.
What is the InChIKey of ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is HSJNWCQVQVTRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-10(15)8-5-12-11(16)13(9(8)14)6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,12,16).
What are the key properties of ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate?
ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 162426049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).