6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine

C12H16N4 — CID 105470150

IUPAC6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
SMILESc1cnc2cnc(CC3CCCNC3)n2c1
InChIInChI=1S/C12H16N4/c1-3-10(8-13-4-1)7-11-15-9-12-14-5-2-6-16(11)12/h2,5-6,9-10,13H,1,3-4,7-8H2
InChIKeyVOLYGGNSMKQSBT-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.27
Rot. Bonds2

About 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine

6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine (PubChem CID 105470150) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
PubChem CID105470150
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
SMILESc1cnc2cnc(CC3CCCNC3)n2c1
InChIInChI=1S/C12H16N4/c1-3-10(8-13-4-1)7-11-15-9-12-14-5-2-6-16(11)12/h2,5-6,9-10,13H,1,3-4,7-8H2
InChIKeyVOLYGGNSMKQSBT-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62690629
6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470149
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 62690462
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
1-bromo-8-methyl-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254803
5-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 142415541
3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147434
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141091
2-imidazo[1,5-a]pyrimidin-6-ylethanamine
CID 105431897

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine?
The IUPAC name of 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine (CID 105470150) is 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine?
The canonical SMILES for 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine is c1cnc2cnc(CC3CCCNC3)n2c1.
What is the InChIKey of 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine?
The InChIKey is VOLYGGNSMKQSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-10(8-13-4-1)7-11-15-9-12-14-5-2-6-16(11)12/h2,5-6,9-10,13H,1,3-4,7-8H2.
What are the key properties of 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine?
6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 105470150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).