1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol

C13H18N4O — CID 103897986

IUPAC1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2cn3cccnc3n2)CC1O
InChIInChI=1S/C13H18N4O/c1-10-3-6-16(9-12(10)18)7-11-8-17-5-2-4-14-13(17)15-11/h2,4-5,8,10,12,18H,3,6-7,9H2,1H3
InChIKeyLATWYRJQBNRDMC-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.93
Rot. Bonds2

About 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol (PubChem CID 103897986) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
PubChem CID103897986
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2cn3cccnc3n2)CC1O
InChIInChI=1S/C13H18N4O/c1-10-3-6-16(9-12(10)18)7-11-8-17-5-2-4-14-13(17)15-11/h2,4-5,8,10,12,18H,3,6-7,9H2,1H3
InChIKeyLATWYRJQBNRDMC-UHFFFAOYSA-N
XLogP0.93
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol
CID 103897985
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
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol
CID 103897964
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120967196
2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 154801096
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426395
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
CID 120966937

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol (CID 103897986) is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol is CC1CCN(Cc2cn3cccnc3n2)CC1O.
What is the InChIKey of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol?
The InChIKey is LATWYRJQBNRDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-3-6-16(9-12(10)18)7-11-8-17-5-2-4-14-13(17)15-11/h2,4-5,8,10,12,18H,3,6-7,9H2,1H3.
What are the key properties of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol?
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol has a molecular weight of 246.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 103897986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).