methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate

C14H21N3O2 — CID 114276570

IUPACmethyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCc1nc(C)cc(N2CCC(C(=O)OC)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-4-12-15-10(2)9-13(16-12)17-7-5-11(6-8-17)14(18)19-3/h9,11H,4-8H2,1-3H3
InChIKeyHHVKIWSDQBDDSX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds3

About methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate

methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 114276570) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID114276570
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCc1nc(C)cc(N2CCC(C(=O)OC)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-4-12-15-10(2)9-13(16-12)17-7-5-11(6-8-17)14(18)19-3/h9,11H,4-8H2,1-3H3
InChIKeyHHVKIWSDQBDDSX-UHFFFAOYSA-N
XLogP1.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-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 methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate (CID 114276570) is methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate is CCc1nc(C)cc(N2CCC(C(=O)OC)CC2)n1.
What is the InChIKey of methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is HHVKIWSDQBDDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-12-15-10(2)9-13(16-12)17-7-5-11(6-8-17)14(18)19-3/h9,11H,4-8H2,1-3H3.
What are the key properties of methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate?
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 114276570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).