6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C12H9ClF3N3O — CID 106774149

IUPAC6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Oc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H9ClF3N3O/c1-6-4-7(13)2-3-8(6)20-10-5-9(17)18-11(19-10)12(14,15)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyIIGWZEAHXQHVSM-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.83
Rot. Bonds2

About 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine

6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774149) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774149
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC Name6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Oc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H9ClF3N3O/c1-6-4-7(13)2-3-8(6)20-10-5-9(17)18-11(19-10)12(14,15)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyIIGWZEAHXQHVSM-UHFFFAOYSA-N
XLogP3.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774149) is 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(Cl)ccc1Oc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IIGWZEAHXQHVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c1-6-4-7(13)2-3-8(6)20-10-5-9(17)18-11(19-10)12(14,15)16/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.67 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).