4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine

C10H6F3N3O — CID 80862564

IUPAC4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C10H6F3N3O/c11-5-1-2-8(6(12)3-5)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyCARZMMREXPZWRK-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.27
Rot. Bonds2

About 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine

4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine (PubChem CID 80862564) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
PubChem CID80862564
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C10H6F3N3O/c11-5-1-2-8(6(12)3-5)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyCARZMMREXPZWRK-UHFFFAOYSA-N
XLogP2.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887
4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881412
3-(2,4-difluorophenoxy)pyrazin-2-amine
CID 102987748
4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80864784
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 114073133
5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875910
2-(2,4-difluorophenoxy)-3-methylquinoxaline
CID 39999933
2-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 116797635
4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862644

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine (CID 80862564) is 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Oc2ccc(F)cc2F)n1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is CARZMMREXPZWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-5-1-2-8(6(12)3-5)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16).
What are the key properties of 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine?
4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 241.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80862564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).