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

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Related Compounds

methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid
CID 68579922
[(3S)-1-[1-(2-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95551659
methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80663871
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
N-cyclopropyl-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 133381181
methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 137007527
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate
CID 115973681
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
CID 108773397
methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
CID 87174001

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).