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

C14H12Cl2F3N3O — CID 1483262

IUPAC4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nc(Oc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C14H12Cl2F3N3O/c1-7(2)20-13-21-11(14(17,18)19)6-12(22-13)23-10-4-3-8(15)5-9(10)16/h3-7H,1-2H3,(H,20,21,22)
InChIKeyKPZTYFJZQWHZPA-UHFFFAOYSA-N
MW366.17 g/mol
LogP5.41
Rot. Bonds4

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

4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483262) has the molecular formula C14H12Cl2F3N3O and a molecular weight of 366.17 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483262
Molecular FormulaC14H12Cl2F3N3O
Molecular Weight366.17 g/mol
Exact Mass365.03
IUPAC Name4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nc(Oc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C14H12Cl2F3N3O/c1-7(2)20-13-21-11(14(17,18)19)6-12(22-13)23-10-4-3-8(15)5-9(10)16/h3-7H,1-2H3,(H,20,21,22)
InChIKeyKPZTYFJZQWHZPA-UHFFFAOYSA-N
XLogP5.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.17
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483262) is 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is CC(C)Nc1nc(Oc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KPZTYFJZQWHZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N3O/c1-7(2)20-13-21-11(14(17,18)19)6-12(22-13)23-10-4-3-8(15)5-9(10)16/h3-7H,1-2H3,(H,20,21,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 366.17 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).