6-nitrothieno[2,3-d]pyrimidin-4-amine

C6H4N4O2S — CID 13038274

IUPAC6-nitrothieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2sc([N+](=O)[O-])cc12
InChIInChI=1S/C6H4N4O2S/c7-5-3-1-4(10(11)12)13-6(3)9-2-8-5/h1-2H,(H2,7,8,9)
InChIKeyRIJGJQDJTPACJC-UHFFFAOYSA-N
MW196.19 g/mol
LogP1.18
Rot. Bonds1

About 6-nitrothieno[2,3-d]pyrimidin-4-amine

6-nitrothieno[2,3-d]pyrimidin-4-amine (PubChem CID 13038274) has the molecular formula C6H4N4O2S and a molecular weight of 196.19 g/mol. Its IUPAC name is 6-nitrothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-nitrothieno[2,3-d]pyrimidin-4-amine
PubChem CID13038274
Molecular FormulaC6H4N4O2S
Molecular Weight196.19 g/mol
Exact Mass196.01
IUPAC Name6-nitrothieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2sc([N+](=O)[O-])cc12
InChIInChI=1S/C6H4N4O2S/c7-5-3-1-4(10(11)12)13-6(3)9-2-8-5/h1-2H,(H2,7,8,9)
InChIKeyRIJGJQDJTPACJC-UHFFFAOYSA-N
XLogP1.18
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-nitrothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-nitrothieno[2,3-d]pyrimidin-4-amine (CID 13038274) is 6-nitrothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-nitrothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-nitrothieno[2,3-d]pyrimidin-4-amine is Nc1ncnc2sc([N+](=O)[O-])cc12.
What is the InChIKey of 6-nitrothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RIJGJQDJTPACJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2S/c7-5-3-1-4(10(11)12)13-6(3)9-2-8-5/h1-2H,(H2,7,8,9).
What are the key properties of 6-nitrothieno[2,3-d]pyrimidin-4-amine?
6-nitrothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 196.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitrothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13038274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).