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'}

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Related Compounds

3-amino-N-methyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenesulfonamide
CID 135952294
8-(2-chlorophenyl)sulfanylquinolin-5-amine
CID 43450351
1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one
CID 43376166
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135933637
2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CID 135968118
2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 139237306
2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136835784
2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136728223
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-methylsulfanylbenzoic acid
CID 136695147
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135895322
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-nitrobenzoic acid
CID 135895414
N-[4-hydroxy-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]acetamide
CID 177386993

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).