4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one

C13H11N5OS — CID 136883323

IUPAC4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(Sc2c(N)cnc3ccccc23)n1
InChIInChI=1S/C13H11N5OS/c14-8-6-16-9-4-2-1-3-7(9)12(8)20-13-17-10(15)5-11(19)18-13/h1-6H,14H2,(H3,15,17,18,19)
InChIKeyCAKLFZWKVHJYFB-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.63
Rot. Bonds2

About 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one

4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 136883323) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID136883323
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(Sc2c(N)cnc3ccccc23)n1
InChIInChI=1S/C13H11N5OS/c14-8-6-16-9-4-2-1-3-7(9)12(8)20-13-17-10(15)5-11(19)18-13/h1-6H,14H2,(H3,15,17,18,19)
InChIKeyCAKLFZWKVHJYFB-UHFFFAOYSA-N
XLogP1.63
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 136883323) is 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(Sc2c(N)cnc3ccccc23)n1.
What is the InChIKey of 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is CAKLFZWKVHJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-8-6-16-9-4-2-1-3-7(9)12(8)20-13-17-10(15)5-11(19)18-13/h1-6H,14H2,(H3,15,17,18,19).
What are the key properties of 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one?
4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 285.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminoquinolin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136883323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).