4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine

C16H16F3N7 — CID 158109097

IUPAC4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
SMILESCC(c1ccccn1)C1(N)N=C(N)NC(c2cccc(C(F)(F)F)n2)=N1
InChIInChI=1S/C16H16F3N7/c1-9(10-5-2-3-8-22-10)16(21)25-13(24-14(20)26-16)11-6-4-7-12(23-11)15(17,18)19/h2-9H,21H2,1H3,(H3,20,24,25,26)
InChIKeyFQEUFJJOLNWVFL-UHFFFAOYSA-N
MW363.35 g/mol
LogP1.58
Rot. Bonds3

About 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine

4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (PubChem CID 158109097) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
PubChem CID158109097
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC Name4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
SMILESCC(c1ccccn1)C1(N)N=C(N)NC(c2cccc(C(F)(F)F)n2)=N1
InChIInChI=1S/C16H16F3N7/c1-9(10-5-2-3-8-22-10)16(21)25-13(24-14(20)26-16)11-6-4-7-12(23-11)15(17,18)19/h2-9H,21H2,1H3,(H3,20,24,25,26)
InChIKeyFQEUFJJOLNWVFL-UHFFFAOYSA-N
XLogP1.58
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (CID 158109097) is 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is CC(c1ccccn1)C1(N)N=C(N)NC(c2cccc(C(F)(F)F)n2)=N1.
What is the InChIKey of 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is FQEUFJJOLNWVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c1-9(10-5-2-3-8-22-10)16(21)25-13(24-14(20)26-16)11-6-4-7-12(23-11)15(17,18)19/h2-9H,21H2,1H3,(H3,20,24,25,26).
What are the key properties of 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 363.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158109097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).