methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate

C14H18N4O2 — CID 78920324

IUPACmethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2cn3cccnc3n2)C1
InChIInChI=1S/C14H18N4O2/c1-20-13(19)11-4-2-6-17(8-11)9-12-10-18-7-3-5-15-14(18)16-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3
InChIKeyHVFXGNHFYXQLEZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.11
Rot. Bonds3

About methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate

methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate (PubChem CID 78920324) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
PubChem CID78920324
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2cn3cccnc3n2)C1
InChIInChI=1S/C14H18N4O2/c1-20-13(19)11-4-2-6-17(8-11)9-12-10-18-7-3-5-15-14(18)16-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3
InChIKeyHVFXGNHFYXQLEZ-UHFFFAOYSA-N
XLogP1.11
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
CID 79037670
methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate
CID 114450664
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120967196
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
CID 103055325
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541

Frequently Asked Questions

What is the IUPAC name of methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate (CID 78920324) is methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate is COC(=O)C1CCCN(Cc2cn3cccnc3n2)C1.
What is the InChIKey of methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate?
The InChIKey is HVFXGNHFYXQLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-13(19)11-4-2-6-17(8-11)9-12-10-18-7-3-5-15-14(18)16-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3.
What are the key properties of methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate?
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 78920324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).