6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine

C13H13ClFN3O — CID 80963670

IUPAC6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-7(2)13-17-11(16)6-12(18-13)19-8-3-4-10(15)9(14)5-8/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyDGWQHOGXALTXBV-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.77
Rot. Bonds3

About 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine

6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80963670) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80963670
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-7(2)13-17-11(16)6-12(18-13)19-8-3-4-10(15)9(14)5-8/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyDGWQHOGXALTXBV-UHFFFAOYSA-N
XLogP3.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
CID 80942481
6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990919
6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966235
6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine
CID 116797923
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710217
6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80962777
6-(4-nitrophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966351
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80965676
3-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80965673
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine (CID 80963670) is 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DGWQHOGXALTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-7(2)13-17-11(16)6-12(18-13)19-8-3-4-10(15)9(14)5-8/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine?
6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 281.72 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80963670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).