6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine

C10H8FN5O3 — CID 80871675

IUPAC6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc([N+](=O)[O-])cc2F)nc(N)n1
InChIInChI=1S/C10H8FN5O3/c11-6-3-5(16(17)18)1-2-7(6)19-9-4-8(12)14-10(13)15-9/h1-4H,(H4,12,13,14,15)
InChIKeyDZAZIUGSEJYODG-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.48
Rot. Bonds3

About 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine

6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine (PubChem CID 80871675) has the molecular formula C10H8FN5O3 and a molecular weight of 265.20 g/mol. Its IUPAC name is 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
PubChem CID80871675
Molecular FormulaC10H8FN5O3
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC Name6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc([N+](=O)[O-])cc2F)nc(N)n1
InChIInChI=1S/C10H8FN5O3/c11-6-3-5(16(17)18)1-2-7(6)19-9-4-8(12)14-10(13)15-9/h1-4H,(H4,12,13,14,15)
InChIKeyDZAZIUGSEJYODG-UHFFFAOYSA-N
XLogP1.48
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
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

6-(2-fluoro-4-nitrophenoxy)pyridin-2-amine
CID 80653072
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869
6-(4-bromo-2-fluorophenoxy)pyrimidine-2,4-diamine
CID 80881775
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80873263
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80938897
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
CID 80877439
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(2-amino-4-nitrophenoxy)-3-fluorobenzonitrile
CID 107670147
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine (CID 80871675) is 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine is Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)nc(N)n1.
What is the InChIKey of 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine?
The InChIKey is DZAZIUGSEJYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O3/c11-6-3-5(16(17)18)1-2-7(6)19-9-4-8(12)14-10(13)15-9/h1-4H,(H4,12,13,14,15).
What are the key properties of 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine?
6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine has a molecular weight of 265.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80871675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).