4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine

C10H6Cl2FN3O — CID 80881412

IUPAC4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H6Cl2FN3O/c11-5-2-1-3-7(8(5)12)17-9-6(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyOTKIDDDOMHGUHI-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.30
Rot. Bonds2

About 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine

4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine (PubChem CID 80881412) has the molecular formula C10H6Cl2FN3O and a molecular weight of 274.08 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
PubChem CID80881412
Molecular FormulaC10H6Cl2FN3O
Molecular Weight274.08 g/mol
Exact Mass272.99
IUPAC Name4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H6Cl2FN3O/c11-5-2-1-3-7(8(5)12)17-9-6(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyOTKIDDDOMHGUHI-UHFFFAOYSA-N
XLogP3.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887
4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
CID 80862564
4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80864784
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875910
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80755046
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine
CID 80864930
4-(2,3-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80881232

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine (CID 80881412) is 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Oc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is OTKIDDDOMHGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O/c11-5-2-1-3-7(8(5)12)17-9-6(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16).
What are the key properties of 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine?
4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 274.08 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80881412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).