6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine

C12H16N4 — CID 105470149

IUPAC6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine
SMILESc1cnc2cnc(CC3CCCCN3)n2c1
InChIInChI=1S/C12H16N4/c1-2-5-13-10(4-1)8-11-15-9-12-14-6-3-7-16(11)12/h3,6-7,9-10,13H,1-2,4-5,8H2
InChIKeyZNXULBLMOZFSNQ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.41
Rot. Bonds2

About 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine

6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine (PubChem CID 105470149) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine
PubChem CID105470149
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine
SMILESc1cnc2cnc(CC3CCCCN3)n2c1
InChIInChI=1S/C12H16N4/c1-2-5-13-10(4-1)8-11-15-9-12-14-6-3-7-16(11)12/h3,6-7,9-10,13H,1-2,4-5,8H2
InChIKeyZNXULBLMOZFSNQ-UHFFFAOYSA-N
XLogP1.41
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
2-imidazo[1,5-a]pyrimidin-6-ylethanamine
CID 105431897
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
1,8-dichloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254735
6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine
CID 105459599
1-bromo-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 117254727
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
[3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138282
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231619
3-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117150706
methyl 3-(piperidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147604

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine?
The IUPAC name of 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine (CID 105470149) is 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine?
The canonical SMILES for 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine is c1cnc2cnc(CC3CCCCN3)n2c1.
What is the InChIKey of 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine?
The InChIKey is ZNXULBLMOZFSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-5-13-10(4-1)8-11-15-9-12-14-6-3-7-16(11)12/h3,6-7,9-10,13H,1-2,4-5,8H2.
What are the key properties of 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine?
6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 105470149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).