4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine

C12H7FN4O3S — CID 103332258

IUPAC4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Oc2ccc([N+](=O)[O-])c(F)c2)c2ccsc2n1
InChIInChI=1S/C12H7FN4O3S/c13-8-5-6(1-2-9(8)17(18)19)20-10-7-3-4-21-11(7)16-12(14)15-10/h1-5H,(H2,14,15,16)
InChIKeyYDSBBZPJUICKKZ-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.11
Rot. Bonds3

About 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine

4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332258) has the molecular formula C12H7FN4O3S and a molecular weight of 306.28 g/mol. Its IUPAC name is 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103332258
Molecular FormulaC12H7FN4O3S
Molecular Weight306.28 g/mol
Exact Mass306.02
IUPAC Name4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Oc2ccc([N+](=O)[O-])c(F)c2)c2ccsc2n1
InChIInChI=1S/C12H7FN4O3S/c13-8-5-6(1-2-9(8)17(18)19)20-10-7-3-4-21-11(7)16-12(14)15-10/h1-5H,(H2,14,15,16)
InChIKeyYDSBBZPJUICKKZ-UHFFFAOYSA-N
XLogP3.11
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.11
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-(3-chloro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332407
4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333341
4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333095
4-[(5-bromo-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103332787
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 103331970
4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332428
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine
CID 80965208
2-bromo-5-(3-fluoro-4-nitrophenoxy)-1,3,4-thiadiazole
CID 64622817
5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 113469459
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103333352

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103332258) is 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine is Nc1nc(Oc2ccc([N+](=O)[O-])c(F)c2)c2ccsc2n1.
What is the InChIKey of 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YDSBBZPJUICKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O3S/c13-8-5-6(1-2-9(8)17(18)19)20-10-7-3-4-21-11(7)16-12(14)15-10/h1-5H,(H2,14,15,16).
What are the key properties of 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine?
4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 306.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).