4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine

C10H5Cl2FN4O3 — CID 107501814

IUPAC4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H5Cl2FN4O3/c11-4-1-7(17(18)19)8(2-5(4)12)20-9-6(13)3-15-10(14)16-9/h1-3H,(H2,14,15,16)
InChIKeyWNNHAOCFPHDYAA-UHFFFAOYSA-N
MW319.08 g/mol
LogP3.21
Rot. Bonds3

About 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine

4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine (PubChem CID 107501814) has the molecular formula C10H5Cl2FN4O3 and a molecular weight of 319.08 g/mol. Its IUPAC name is 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
PubChem CID107501814
Molecular FormulaC10H5Cl2FN4O3
Molecular Weight319.08 g/mol
Exact Mass317.97
IUPAC Name4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H5Cl2FN4O3/c11-4-1-7(17(18)19)8(2-5(4)12)20-9-6(13)3-15-10(14)16-9/h1-3H,(H2,14,15,16)
InChIKeyWNNHAOCFPHDYAA-UHFFFAOYSA-N
XLogP3.21
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.08
LogP ≤ 53.21
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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Related Compounds

5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875910
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80880830
5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887
6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107501817
[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107501836
4-(2-amino-5-fluoropyrimidin-4-yl)oxy-3-iodo-5-nitrobenzonitrile
CID 80880257
4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881412
5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine
CID 107501354

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine (CID 107501814) is 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1.
What is the InChIKey of 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is WNNHAOCFPHDYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN4O3/c11-4-1-7(17(18)19)8(2-5(4)12)20-9-6(13)3-15-10(14)16-9/h1-3H,(H2,14,15,16).
What are the key properties of 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine?
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 319.08 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 107501814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).