2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine

C6H8F3N5O — CID 15010389

IUPAC2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC)nc(OC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5O/c1-10-3-12-4(11-2)14-5(13-3)15-6(7,8)9/h1-2H3,(H2,10,11,12,13,14)
InChIKeyLBOGBSWPNAWMRS-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.85
Rot. Bonds3

About 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 15010389) has the molecular formula C6H8F3N5O and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID15010389
Molecular FormulaC6H8F3N5O
Molecular Weight223.16 g/mol
Exact Mass223.07
IUPAC Name2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC)nc(OC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5O/c1-10-3-12-4(11-2)14-5(13-3)15-6(7,8)9/h1-2H3,(H2,10,11,12,13,14)
InChIKeyLBOGBSWPNAWMRS-UHFFFAOYSA-N
XLogP0.85
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine (CID 15010389) is 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine is CNc1nc(NC)nc(OC(F)(F)F)n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is LBOGBSWPNAWMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5O/c1-10-3-12-4(11-2)14-5(13-3)15-6(7,8)9/h1-2H3,(H2,10,11,12,13,14).
What are the key properties of 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 223.16 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).