4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine

C11H8ClF2N3O — CID 80876211

IUPAC4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H8ClF2N3O/c1-15-11-16-5-9(14)10(17-11)18-6-2-3-8(13)7(12)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyRRCPOTNFLNHZAW-UHFFFAOYSA-N
MW271.65 g/mol
LogP3.24
Rot. Bonds3

About 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine

4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80876211) has the molecular formula C11H8ClF2N3O and a molecular weight of 271.65 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80876211
Molecular FormulaC11H8ClF2N3O
Molecular Weight271.65 g/mol
Exact Mass271.03
IUPAC Name4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H8ClF2N3O/c1-15-11-16-5-9(14)10(17-11)18-6-2-3-8(13)7(12)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyRRCPOTNFLNHZAW-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dichlorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80874147
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
2-[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864152
4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 115493705
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850
5-chloro-N-methyl-4-(4-methylsulfanylphenoxy)pyrimidin-2-amine
CID 80880698
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80876210
5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
CID 80881424
4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
CID 80876322

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine (CID 80876211) is 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is RRCPOTNFLNHZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O/c1-15-11-16-5-9(14)10(17-11)18-6-2-3-8(13)7(12)4-6/h2-5H,1H3,(H,15,16,17).
What are the key properties of 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 271.65 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80876211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).