2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride

C15H16ClN5 — CID 67060441

IUPAC2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride
SMILESCl.N#Cc1cc(-c2ncccn2)ccc1N1CCC(N)C1
InChIInChI=1S/C15H15N5.ClH/c16-9-12-8-11(15-18-5-1-6-19-15)2-3-14(12)20-7-4-13(17)10-20;/h1-3,5-6,8,13H,4,7,10,17H2;1H
InChIKeySLHFVPMXBGRABC-UHFFFAOYSA-N
MW301.78 g/mol
LogP1.97
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride

2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride (PubChem CID 67060441) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride
PubChem CID67060441
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride
SMILESCl.N#Cc1cc(-c2ncccn2)ccc1N1CCC(N)C1
InChIInChI=1S/C15H15N5.ClH/c16-9-12-8-11(15-18-5-1-6-19-15)2-3-14(12)20-7-4-13(17)10-20;/h1-3,5-6,8,13H,4,7,10,17H2;1H
InChIKeySLHFVPMXBGRABC-UHFFFAOYSA-N
XLogP1.97
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
CID 67060455
2-(3-aminopyrrolidin-1-yl)-5-(1,3-thiazol-2-yl)benzonitrile;hydrochloride
CID 67060685
2-(3-aminopyrrolidin-1-yl)-5-(4-fluorophenyl)benzonitrile;hydrochloride
CID 67060466
2-[(3S)-3-aminopyrrolidin-1-yl]-5-(4-fluorophenyl)benzonitrile
CID 67060424
2-[(3S)-3-aminopyrrolidin-1-yl]-4-phenylbenzonitrile;hydrochloride
CID 67060561
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907
4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 67060660
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[(3S)-3-aminopyrrolidin-1-yl]-5-nitrobenzonitrile
CID 67060532
2-(3-aminopyrrolidin-1-yl)-4-bromobenzonitrile
CID 112694717

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride (CID 67060441) is 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride is Cl.N#Cc1cc(-c2ncccn2)ccc1N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride?
The InChIKey is SLHFVPMXBGRABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5.ClH/c16-9-12-8-11(15-18-5-1-6-19-15)2-3-14(12)20-7-4-13(17)10-20;/h1-3,5-6,8,13H,4,7,10,17H2;1H.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride?
2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride is sourced from PubChem (CID 67060441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).