ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate

C15H22N2O3 — CID 65390527

IUPACethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCC(CC)CC2)[nH]c1=O
InChIInChI=1S/C15H22N2O3/c1-3-10-5-7-11(8-6-10)13-16-9-12(14(18)17-13)15(19)20-4-2/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyLDWWOYFCFPIEOK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.63
Rot. Bonds4

About ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 65390527) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID65390527
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCC(CC)CC2)[nH]c1=O
InChIInChI=1S/C15H22N2O3/c1-3-10-5-7-11(8-6-10)13-16-9-12(14(18)17-13)15(19)20-4-2/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyLDWWOYFCFPIEOK-UHFFFAOYSA-N
XLogP2.63
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 65390527) is ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2CCC(CC)CC2)[nH]c1=O.
What is the InChIKey of ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is LDWWOYFCFPIEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-10-5-7-11(8-6-10)13-16-9-12(14(18)17-13)15(19)20-4-2/h9-11H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 65390527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).