6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine

C18H25F3N4 — CID 161228636

IUPAC6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1cc(N)nc(C(F)(F)F)c1.Cc1cc(C(C)C)cc(N)n1
InChIInChI=1S/C9H11F3N2.C9H14N2/c1-5(2)6-3-7(9(10,11)12)14-8(13)4-6;1-6(2)8-4-7(3)11-9(10)5-8/h3-5H,1-2H3,(H2,13,14);4-6H,1-3H3,(H2,10,11)
InChIKeyUYLNGADHLGWALS-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.90
Rot. Bonds2

About 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine

6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 161228636) has the molecular formula C18H25F3N4 and a molecular weight of 354.42 g/mol. Its IUPAC name is 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID161228636
Molecular FormulaC18H25F3N4
Molecular Weight354.42 g/mol
Exact Mass354.20
IUPAC Name6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1cc(N)nc(C(F)(F)F)c1.Cc1cc(C(C)C)cc(N)n1
InChIInChI=1S/C9H11F3N2.C9H14N2/c1-5(2)6-3-7(9(10,11)12)14-8(13)4-6;1-6(2)8-4-7(3)11-9(10)5-8/h3-5H,1-2H3,(H2,13,14);4-6H,1-3H3,(H2,10,11)
InChIKeyUYLNGADHLGWALS-UHFFFAOYSA-N
XLogP4.90
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine (CID 161228636) is 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine is CC(C)c1cc(N)nc(C(F)(F)F)c1.Cc1cc(C(C)C)cc(N)n1.
What is the InChIKey of 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UYLNGADHLGWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2.C9H14N2/c1-5(2)6-3-7(9(10,11)12)14-8(13)4-6;1-6(2)8-4-7(3)11-9(10)5-8/h3-5H,1-2H3,(H2,13,14);4-6H,1-3H3,(H2,10,11).
What are the key properties of 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 354.42 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161228636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).