5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine

C13H9N5O2S — CID 80873514

IUPAC5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Sc2ncnc3ccccc23)n1
InChIInChI=1S/C13H9N5O2S/c14-11-6-5-10(18(19)20)13(17-11)21-12-8-3-1-2-4-9(8)15-7-16-12/h1-7H,(H2,14,17)
InChIKeyYINABFAEHBZTAB-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.67
Rot. Bonds3

About 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine

5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine (PubChem CID 80873514) has the molecular formula C13H9N5O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine
PubChem CID80873514
Molecular FormulaC13H9N5O2S
Molecular Weight299.32 g/mol
Exact Mass299.05
IUPAC Name5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Sc2ncnc3ccccc23)n1
InChIInChI=1S/C13H9N5O2S/c14-11-6-5-10(18(19)20)13(17-11)21-12-8-3-1-2-4-9(8)15-7-16-12/h1-7H,(H2,14,17)
InChIKeyYINABFAEHBZTAB-UHFFFAOYSA-N
XLogP2.67
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-nitroquinolin-8-yl)sulfanylquinazoline
CID 3025180
2-[(6-amino-3-nitro-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 80885230
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
6-tert-butylsulfanyl-5-nitropyridin-2-amine
CID 80888606
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine
CID 80889283
6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine
CID 80884801
2-quinazolin-4-ylsulfanylpyrimidine-5-carbaldehyde
CID 113388624
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
CID 115490289
3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid
CID 62700957
4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidine
CID 9110657

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine?
The IUPAC name of 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine (CID 80873514) is 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine.
What is the SMILES notation for 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine?
The canonical SMILES for 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Sc2ncnc3ccccc23)n1.
What is the InChIKey of 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine?
The InChIKey is YINABFAEHBZTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S/c14-11-6-5-10(18(19)20)13(17-11)21-12-8-3-1-2-4-9(8)15-7-16-12/h1-7H,(H2,14,17).
What are the key properties of 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine?
5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine has a molecular weight of 299.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine is sourced from PubChem (CID 80873514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).