1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid

C14H18N4O2 — CID 114426395

IUPAC1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(Cc2cn3cccnc3n2)C(C(=O)O)C1
InChIInChI=1S/C14H18N4O2/c1-10-3-6-17(12(7-10)13(19)20)8-11-9-18-5-2-4-15-14(18)16-11/h2,4-5,9-10,12H,3,6-8H2,1H3,(H,19,20)
InChIKeyWYAVQSFLWCLDCG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.41
Rot. Bonds3

About 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426395) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114426395
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(Cc2cn3cccnc3n2)C(C(=O)O)C1
InChIInChI=1S/C14H18N4O2/c1-10-3-6-17(12(7-10)13(19)20)8-11-9-18-5-2-4-15-14(18)16-11/h2,4-5,9-10,12H,3,6-8H2,1H3,(H,19,20)
InChIKeyWYAVQSFLWCLDCG-UHFFFAOYSA-N
XLogP1.41
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid
CID 114430831
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylic acid
CID 114426519
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895144
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 120966664
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 114426836
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
1-[(3,5-dimethylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426307
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 120966976
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid (CID 114426395) is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(Cc2cn3cccnc3n2)C(C(=O)O)C1.
What is the InChIKey of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is WYAVQSFLWCLDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-3-6-17(12(7-10)13(19)20)8-11-9-18-5-2-4-15-14(18)16-11/h2,4-5,9-10,12H,3,6-8H2,1H3,(H,19,20).
What are the key properties of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid?
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.41, 3 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-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).