4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H10Cl2F3N3O — CID 1483213

IUPAC4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2c(Cl)cccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyGUHCWPAQANNICY-UHFFFAOYSA-N
MW352.14 g/mol
LogP5.03
Rot. Bonds4

About 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483213) has the molecular formula C13H10Cl2F3N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483213
Molecular FormulaC13H10Cl2F3N3O
Molecular Weight352.14 g/mol
Exact Mass351.02
IUPAC Name4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2c(Cl)cccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyGUHCWPAQANNICY-UHFFFAOYSA-N
XLogP5.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.14
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483213) is 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Oc2c(Cl)cccc2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GUHCWPAQANNICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21).
What are the key properties of 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 352.14 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).