ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate

C13H18N2O2 — CID 58485015

IUPACethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2ncccn2)CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)11-6-4-10(5-7-11)12-14-8-3-9-15-12/h3,8-11H,2,4-7H2,1H3
InChIKeyFDNHRQKXGXGRNI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.31
Rot. Bonds3

About ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate

ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate (PubChem CID 58485015) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate
PubChem CID58485015
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2ncccn2)CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)11-6-4-10(5-7-11)12-14-8-3-9-15-12/h3,8-11H,2,4-7H2,1H3
InChIKeyFDNHRQKXGXGRNI-UHFFFAOYSA-N
XLogP2.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-pyrimidin-2-ylcyclohexane-1-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 4-pyrimidin-2-ylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate (CID 58485015) is ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2ncccn2)CC1.
What is the InChIKey of ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate?
The InChIKey is FDNHRQKXGXGRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)11-6-4-10(5-7-11)12-14-8-3-9-15-12/h3,8-11H,2,4-7H2,1H3.
What are the key properties of ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate?
ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-pyrimidin-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 58485015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).