2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine

C11H7N5O2S2 — CID 24605969

IUPAC2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Sc2ccc([N+](=O)[O-])cn2)nc2sccc12
InChIInChI=1S/C11H7N5O2S2/c12-9-7-3-4-19-10(7)15-11(14-9)20-8-2-1-6(5-13-8)16(17)18/h1-5H,(H2,12,14,15)
InChIKeyXUICFZNGDIWNNB-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.73
Rot. Bonds3

About 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine

2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 24605969) has the molecular formula C11H7N5O2S2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID24605969
Molecular FormulaC11H7N5O2S2
Molecular Weight305.34 g/mol
Exact Mass305.00
IUPAC Name2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Sc2ccc([N+](=O)[O-])cn2)nc2sccc12
InChIInChI=1S/C11H7N5O2S2/c12-9-7-3-4-19-10(7)15-11(14-9)20-8-2-1-6(5-13-8)16(17)18/h1-5H,(H2,12,14,15)
InChIKeyXUICFZNGDIWNNB-UHFFFAOYSA-N
XLogP2.73
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

ethyl 4-amino-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine-5-carboxylate
CID 2798352
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine
CID 15141761
6-[(5-nitro-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 3977545
2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole
CID 31246665
2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 55111023
methane;5-nitropyridin-2-amine
CID 174857781
2-(4-methylphenyl)sulfanyl-5-nitropyridine
CID 2800116
2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16618002
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 62728609
2-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine
CID 28754139
2-(3-phenylprop-2-ynylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 62726751

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine (CID 24605969) is 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(Sc2ccc([N+](=O)[O-])cn2)nc2sccc12.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XUICFZNGDIWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2S2/c12-9-7-3-4-19-10(7)15-11(14-9)20-8-2-1-6(5-13-8)16(17)18/h1-5H,(H2,12,14,15).
What are the key properties of 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24605969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).