4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N3 — CID 114563284

IUPAC4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)nc(N)n2)cc1
InChIInChI=1S/C14H14F3N3/c1-8(2)9-3-5-10(6-4-9)11-7-12(14(15,16)17)20-13(18)19-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGMAPCTFVLLIQCT-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.87
Rot. Bonds2

About 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563284) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563284
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)nc(N)n2)cc1
InChIInChI=1S/C14H14F3N3/c1-8(2)9-3-5-10(6-4-9)11-7-12(14(15,16)17)20-13(18)19-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGMAPCTFVLLIQCT-UHFFFAOYSA-N
XLogP3.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563283
4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563210
4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 91926916
4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82192734
4-(2,3,4,5,6-pentadeuteriophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 165345967
4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 14545360
4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563485
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563437
2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 15477740
6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
CID 62203089
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563197

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563284) is 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is CC(C)c1ccc(-c2cc(C(F)(F)F)nc(N)n2)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GMAPCTFVLLIQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-8(2)9-3-5-10(6-4-9)11-7-12(14(15,16)17)20-13(18)19-11/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).