ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate

C14H20N2O3 — CID 62022842

IUPACethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCCC(C)C2)[nH]c1=O
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)11-8-15-12(16-13(11)17)10-6-4-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyYFAQQSZXHCDRQW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.24
Rot. Bonds3

About ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 62022842) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID62022842
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCCC(C)C2)[nH]c1=O
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)11-8-15-12(16-13(11)17)10-6-4-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyYFAQQSZXHCDRQW-UHFFFAOYSA-N
XLogP2.24
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 62022842) is ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2CCCC(C)C2)[nH]c1=O.
What is the InChIKey of ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is YFAQQSZXHCDRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-14(18)11-8-15-12(16-13(11)17)10-6-4-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 62022842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).