4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine

C14H14F3N3 — CID 175158320

IUPAC4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1cc(N)nc(-c2cccnc2)c1C(F)(F)F
InChIInChI=1S/C14H14F3N3/c1-8(2)10-6-11(18)20-13(12(10)14(15,16)17)9-4-3-5-19-7-9/h3-8H,1-2H3,(H2,18,20)
InChIKeyQNWKUDHEBNVJJC-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.87
Rot. Bonds2

About 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine

4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 175158320) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID175158320
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1cc(N)nc(-c2cccnc2)c1C(F)(F)F
InChIInChI=1S/C14H14F3N3/c1-8(2)10-6-11(18)20-13(12(10)14(15,16)17)9-4-3-5-19-7-9/h3-8H,1-2H3,(H2,18,20)
InChIKeyQNWKUDHEBNVJJC-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

5-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 82106824
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine
CID 91242587
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-methyl-6-pyridin-3-ylpyridazin-3-amine
CID 118165441
3-methyl-2-phenyl-5-pyridin-3-ylimidazol-4-amine
CID 55048938
6-pyridin-3-ylpyrimidine-2,4-diamine
CID 90189944
3-fluoro-2-pyridin-3-yl-6-(trifluoromethyl)pyridine
CID 46315838
5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine
CID 69149581
6-methyl-2-pyridin-3-ylpyridin-3-amine
CID 46315250

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine (CID 175158320) is 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine is CC(C)c1cc(N)nc(-c2cccnc2)c1C(F)(F)F.
What is the InChIKey of 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QNWKUDHEBNVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-8(2)10-6-11(18)20-13(12(10)14(15,16)17)9-4-3-5-19-7-9/h3-8H,1-2H3,(H2,18,20).
What are the key properties of 4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine?
4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-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-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 175158320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).