2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

C14H12N4OS — CID 135876353

IUPAC2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2ccc(N)c3cccnc23)n1
InChIInChI=1S/C14H12N4OS/c1-8-7-12(19)18-14(17-8)20-11-5-4-10(15)9-3-2-6-16-13(9)11/h2-7H,15H2,1H3,(H,17,18,19)
InChIKeyBVZPKJWEMNLFOY-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.36
Rot. Bonds2

About 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135876353) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135876353
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2ccc(N)c3cccnc23)n1
InChIInChI=1S/C14H12N4OS/c1-8-7-12(19)18-14(17-8)20-11-5-4-10(15)9-3-2-6-16-13(9)11/h2-7H,15H2,1H3,(H,17,18,19)
InChIKeyBVZPKJWEMNLFOY-UHFFFAOYSA-N
XLogP2.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-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 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 135876353) is 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Sc2ccc(N)c3cccnc23)n1.
What is the InChIKey of 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BVZPKJWEMNLFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-8-7-12(19)18-14(17-8)20-11-5-4-10(15)9-3-2-6-16-13(9)11/h2-7H,15H2,1H3,(H,17,18,19).
What are the key properties of 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 284.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).