6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine

C14H13F4N3 — CID 107290566

IUPAC6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F4N3/c1-7(2)13-20-11(6-12(19)21-13)8-3-4-10(15)9(5-8)14(16,17)18/h3-7H,1-2H3,(H2,19,20,21)
InChIKeyVCXZTFBWHQJVKU-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.01
Rot. Bonds2

About 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine

6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 107290566) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID107290566
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F4N3/c1-7(2)13-20-11(6-12(19)21-13)8-3-4-10(15)9(5-8)14(16,17)18/h3-7H,1-2H3,(H2,19,20,21)
InChIKeyVCXZTFBWHQJVKU-UHFFFAOYSA-N
XLogP4.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 107290535
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107289625
6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107290545
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 107290420
(1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol
CID 126447982
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
2-propan-2-yl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80952767
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
6-(4-cyclobutylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 116506979
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine (CID 107290566) is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VCXZTFBWHQJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-7(2)13-20-11(6-12(19)21-13)8-3-4-10(15)9(5-8)14(16,17)18/h3-7H,1-2H3,(H2,19,20,21).
What are the key properties of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine?
6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 299.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107290566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).