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

C8H8N4O2S — CID 11345111

IUPACN,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2sc([N+](=O)[O-])cc12
InChIInChI=1S/C8H8N4O2S/c1-11(2)7-5-3-6(12(13)14)15-8(5)10-4-9-7/h3-4H,1-2H3
InChIKeyVYGHEQJFMKRSEO-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.67
Rot. Bonds2

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

N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine (PubChem CID 11345111) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine
PubChem CID11345111
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC NameN,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2sc([N+](=O)[O-])cc12
InChIInChI=1S/C8H8N4O2S/c1-11(2)7-5-3-6(12(13)14)15-8(5)10-4-9-7/h3-4H,1-2H3
InChIKeyVYGHEQJFMKRSEO-UHFFFAOYSA-N
XLogP1.67
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
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 N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine (CID 11345111) is N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine is CN(C)c1ncnc2sc([N+](=O)[O-])cc12.
What is the InChIKey of N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VYGHEQJFMKRSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-11(2)7-5-3-6(12(13)14)15-8(5)10-4-9-7/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine?
N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 224.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-nitrothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11345111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).