6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine

C11H9ClFN3O — CID 116691260

IUPAC6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFN3O/c1-6-10(14)15-5-16-11(6)17-8-4-2-3-7(12)9(8)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyXCXRSECIOUNMES-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.95
Rot. Bonds2

About 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine

6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine (PubChem CID 116691260) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
PubChem CID116691260
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFN3O/c1-6-10(14)15-5-16-11(6)17-8-4-2-3-7(12)9(8)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyXCXRSECIOUNMES-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 116688640
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
[6-(3-chloro-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116691466
2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
CID 116689002
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109
2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline
CID 116688655
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine (CID 116691260) is 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1Oc1cccc(Cl)c1F.
What is the InChIKey of 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is XCXRSECIOUNMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-10(14)15-5-16-11(6)17-8-4-2-3-7(12)9(8)13/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine?
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 253.66 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 116691260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).