3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride

C16H19Cl2N5 — CID 142765504

IUPAC3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride
SMILESCl.Cl.c1cc(CC2CCNC2)nc(-c2cnc3ncccn23)c1
InChIInChI=1S/C16H17N5.2ClH/c1-3-13(9-12-5-7-17-10-12)20-14(4-1)15-11-19-16-18-6-2-8-21(15)16;;/h1-4,6,8,11-12,17H,5,7,9-10H2;2*1H
InChIKeySENVKVQIOAICGF-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.79
Rot. Bonds3

About 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride

3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride (PubChem CID 142765504) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride
PubChem CID142765504
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC Name3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride
SMILESCl.Cl.c1cc(CC2CCNC2)nc(-c2cnc3ncccn23)c1
InChIInChI=1S/C16H17N5.2ClH/c1-3-13(9-12-5-7-17-10-12)20-14(4-1)15-11-19-16-18-6-2-8-21(15)16;;/h1-4,6,8,11-12,17H,5,7,9-10H2;2*1H
InChIKeySENVKVQIOAICGF-UHFFFAOYSA-N
XLogP2.79
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]imidazo[1,2-a]pyrimidine
CID 124994491
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62690629
5-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 142415541
N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95826474
2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
CID 83857559
[2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridin-5-yl]methanamine
CID 117131356
3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 58303582
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124641985
4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
CID 124641296

Frequently Asked Questions

What is the IUPAC name of 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride?
The IUPAC name of 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride (CID 142765504) is 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride.
What is the SMILES notation for 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride?
The canonical SMILES for 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride is Cl.Cl.c1cc(CC2CCNC2)nc(-c2cnc3ncccn23)c1.
What is the InChIKey of 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride?
The InChIKey is SENVKVQIOAICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5.2ClH/c1-3-13(9-12-5-7-17-10-12)20-14(4-1)15-11-19-16-18-6-2-8-21(15)16;;/h1-4,6,8,11-12,17H,5,7,9-10H2;2*1H.
What are the key properties of 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride?
3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride has a molecular weight of 352.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride is sourced from PubChem (CID 142765504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).