6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine

C11H18N4 — CID 105459599

IUPAC6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine
SMILESc1nc(CC2CCCN2)n2c1NCCC2
InChIInChI=1S/C11H18N4/c1-3-9(12-4-1)7-10-14-8-11-13-5-2-6-15(10)11/h8-9,12-13H,1-7H2
InChIKeyYEWYESKIFZIKOZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.99
Rot. Bonds2

About 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine

6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine (PubChem CID 105459599) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine
PubChem CID105459599
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine
SMILESc1nc(CC2CCCN2)n2c1NCCC2
InChIInChI=1S/C11H18N4/c1-3-9(12-4-1)7-10-14-8-11-13-5-2-6-15(10)11/h8-9,12-13H,1-7H2
InChIKeyYEWYESKIFZIKOZ-UHFFFAOYSA-N
XLogP0.99
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid
CID 105439315
3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148607
3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117150692
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
3-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117150706
6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470149
[3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138282
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine
CID 11287692
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 84734214

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine?
The IUPAC name of 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine (CID 105459599) is 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine?
The canonical SMILES for 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine is c1nc(CC2CCCN2)n2c1NCCC2.
What is the InChIKey of 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine?
The InChIKey is YEWYESKIFZIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-9(12-4-1)7-10-14-8-11-13-5-2-6-15(10)11/h8-9,12-13H,1-7H2.
What are the key properties of 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine?
6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine has a molecular weight of 206.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine is sourced from PubChem (CID 105459599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).