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

C14H13ClF3N3O — CID 1483251

IUPAC4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nc(Oc2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H13ClF3N3O/c1-8(2)19-13-20-11(14(16,17)18)7-12(21-13)22-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20,21)
InChIKeyKIUYHMLRVMTHPY-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.76
Rot. Bonds4

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

4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483251) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483251
Molecular FormulaC14H13ClF3N3O
Molecular Weight331.73 g/mol
Exact Mass331.07
IUPAC Name4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nc(Oc2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H13ClF3N3O/c1-8(2)19-13-20-11(14(16,17)18)7-12(21-13)22-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20,21)
InChIKeyKIUYHMLRVMTHPY-UHFFFAOYSA-N
XLogP4.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
BW 48-210
CID 72986
4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483213
4-(2,4-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483227
4-{[2-(Ethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1483231
N-[4-(2,3-dichlorophenoxy)-6-(trifluoromethyl)-2-pyrimidinyl]-N-isopropylamine
CID 1483263
2-N-benzyl-4-N-[3-(4-chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44531381
4-N-[4-(4-chlorophenoxy)phenyl]-6-methylpyrimidine-2,4-diamine
CID 44532050
2-Amino-4-phenoxy-6-methylpyrimidine
CID 676911
4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine
CID 389506
4-(4-Chlorophenoxy)-6-methyl-2-pyrimidinamine
CID 14724240
[2-(4-Chloro-phenoxy)-ethyl]-(4,6-dimethyl-pyrimidin-2-yl)-cyanamide
CID 766339

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483251) is 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is CC(C)Nc1nc(Oc2ccc(Cl)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KIUYHMLRVMTHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c1-8(2)19-13-20-11(14(16,17)18)7-12(21-13)22-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 331.73 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).