2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C10H16F3N5 — CID 67989157

IUPAC2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-5(2)14-8-16-7(10(11,12)13)17-9(18-8)15-6(3)4/h5-6H,1-4H3,(H2,14,15,16,17,18)
InChIKeyVDALLGAPAWLQLK-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.53
Rot. Bonds4

About 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 67989157) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID67989157
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-5(2)14-8-16-7(10(11,12)13)17-9(18-8)15-6(3)4/h5-6H,1-4H3,(H2,14,15,16,17,18)
InChIKeyVDALLGAPAWLQLK-UHFFFAOYSA-N
XLogP2.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 67989157) is 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(NC(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VDALLGAPAWLQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-5(2)14-8-16-7(10(11,12)13)17-9(18-8)15-6(3)4/h5-6H,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 263.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67989157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).