4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride

C8H13ClN4O — CID 136562356

IUPAC4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCl.NC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C8H12N4O.ClH/c9-6-1-2-12(4-6)7-3-8(13)11-5-10-7;/h3,5-6H,1-2,4,9H2,(H,10,11,13);1H
InChIKeyYJZFFKVGYKVCKB-UHFFFAOYSA-N
MW216.67 g/mol
LogP-0.27
Rot. Bonds1

About 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride

4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 136562356) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride
PubChem CID136562356
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCl.NC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C8H12N4O.ClH/c9-6-1-2-12(4-6)7-3-8(13)11-5-10-7;/h3,5-6H,1-2,4,9H2,(H,10,11,13);1H
InChIKeyYJZFFKVGYKVCKB-UHFFFAOYSA-N
XLogP-0.27
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;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

4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136957359
6-Methyl-3-(pyrrolidin-3-yl)-3,4-dihydropyrimidin-4-one
CID 82105269
6-Chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114582280
5-Amino-1-pyrrolidin-3-ylpyrimidin-4-one
CID 115114236
3-(Pyrrolidin-3-yl)-3,4-dihydropyrimidin-4-one
CID 126857518
5-amino-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135786488
2-(3-Aminopyrrolidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 136269218
2-(aminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136316791
2-Amino-6-{[methyl(pyrrolidin-3-yl)amino]methyl}-3,4-dihydropyrimidin-4-one hydrochloride
CID 136380781
2-amino-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one
CID 136380782
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672455

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride (CID 136562356) is 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride is Cl.NC1CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is YJZFFKVGYKVCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O.ClH/c9-6-1-2-12(4-6)7-3-8(13)11-5-10-7;/h3,5-6H,1-2,4,9H2,(H,10,11,13);1H.
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride?
4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 136562356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).