2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride

C14H22ClN5 — CID 120967196

IUPAC2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2cn3cccnc3n2)C1
InChIInChI=1S/C14H21N5.ClH/c15-5-4-12-3-1-7-18(9-12)10-13-11-19-8-2-6-16-14(19)17-13;/h2,6,8,11-12H,1,3-5,7,9-10,15H2;1H
InChIKeyHHMGLSMTNDYAFW-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride

2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120967196) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120967196
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2cn3cccnc3n2)C1
InChIInChI=1S/C14H21N5.ClH/c15-5-4-12-3-1-7-18(9-12)10-13-11-19-8-2-6-16-14(19)17-13;/h2,6,8,11-12H,1,3-5,7,9-10,15H2;1H
InChIKeyHHMGLSMTNDYAFW-UHFFFAOYSA-N
XLogP1.71
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728593
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
CID 120966937
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 43162352
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728721
2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 154801096

Frequently Asked Questions

What is the IUPAC name of 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride (CID 120967196) is 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(Cc2cn3cccnc3n2)C1.
What is the InChIKey of 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is HHMGLSMTNDYAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.ClH/c15-5-4-12-3-1-7-18(9-12)10-13-11-19-8-2-6-16-14(19)17-13;/h2,6,8,11-12H,1,3-5,7,9-10,15H2;1H.
What are the key properties of 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120967196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).