methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate

C14H18N4O2 — CID 60726552

IUPACmethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C14H18N4O2/c1-20-13(19)11-3-7-17(8-4-11)9-12-10-18-6-2-5-15-14(18)16-12/h2,5-6,10-11H,3-4,7-9H2,1H3
InChIKeyCTAQMWNHPWKBPU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.11
Rot. Bonds3

About methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate

methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 60726552) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate
PubChem CID60726552
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C14H18N4O2/c1-20-13(19)11-3-7-17(8-4-11)9-12-10-18-6-2-5-15-14(18)16-12/h2,5-6,10-11H,3-4,7-9H2,1H3
InChIKeyCTAQMWNHPWKBPU-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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Frequently Asked Questions

What is the IUPAC name of methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate (CID 60726552) is methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate is COC(=O)C1CCN(Cc2cn3cccnc3n2)CC1.
What is the InChIKey of methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is CTAQMWNHPWKBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-13(19)11-3-7-17(8-4-11)9-12-10-18-6-2-5-15-14(18)16-12/h2,5-6,10-11H,3-4,7-9H2,1H3.
What are the key properties of methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylate?
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-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-4-carboxylate is sourced from PubChem (CID 60726552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).