6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

C9H10N4O2S — CID 13038256

IUPAC6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2sc([N+](=O)[O-])cc12
InChIInChI=1S/C9H10N4O2S/c1-5(2)12-8-6-3-7(13(14)15)16-9(6)11-4-10-8/h3-5H,1-2H3,(H,10,11,12)
InChIKeyYDFPVPHKGSZMLL-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.42
Rot. Bonds3

About 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 13038256) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID13038256
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2sc([N+](=O)[O-])cc12
InChIInChI=1S/C9H10N4O2S/c1-5(2)12-8-6-3-7(13(14)15)16-9(6)11-4-10-8/h3-5H,1-2H3,(H,10,11,12)
InChIKeyYDFPVPHKGSZMLL-UHFFFAOYSA-N
XLogP2.42
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.42
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-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 13038256) is 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is CC(C)Nc1ncnc2sc([N+](=O)[O-])cc12.
What is the InChIKey of 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YDFPVPHKGSZMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5(2)12-8-6-3-7(13(14)15)16-9(6)11-4-10-8/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 238.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13038256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).