1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine

C8H14F3N5 — CID 21151817

IUPAC1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N1C(C(F)(F)F)=NC(N)=NC1N
InChIInChI=1S/C8H14F3N5/c1-3-4(2)16-5(8(9,10)11)14-6(12)15-7(16)13/h4,7H,3,13H2,1-2H3,(H2,12,15)
InChIKeyINMWEZUGMTUKJG-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.62
Rot. Bonds2

About 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine

1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine (PubChem CID 21151817) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
PubChem CID21151817
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC Name1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N1C(C(F)(F)F)=NC(N)=NC1N
InChIInChI=1S/C8H14F3N5/c1-3-4(2)16-5(8(9,10)11)14-6(12)15-7(16)13/h4,7H,3,13H2,1-2H3,(H2,12,15)
InChIKeyINMWEZUGMTUKJG-UHFFFAOYSA-N
XLogP0.62
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine (CID 21151817) is 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine is CCC(C)N1C(C(F)(F)F)=NC(N)=NC1N.
What is the InChIKey of 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is INMWEZUGMTUKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-3-4(2)16-5(8(9,10)11)14-6(12)15-7(16)13/h4,7H,3,13H2,1-2H3,(H2,12,15).
What are the key properties of 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 237.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21151817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).