2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C10H16F3N5O — CID 879223

IUPAC2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCC[C@H](C)Nc1nc(NC)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O/c1-4-6(2)15-8-16-7(14-3)17-9(18-8)19-5-10(11,12)13/h6H,4-5H2,1-3H3,(H2,14,15,16,17,18)/t6-/m0/s1
InChIKeyQTAUTRGGIVNZDI-LURJTMIESA-N
MW279.27 g/mol
LogP2.06
Rot. Bonds6

About 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 879223) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID879223
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCC[C@H](C)Nc1nc(NC)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O/c1-4-6(2)15-8-16-7(14-3)17-9(18-8)19-5-10(11,12)13/h6H,4-5H2,1-3H3,(H2,14,15,16,17,18)/t6-/m0/s1
InChIKeyQTAUTRGGIVNZDI-LURJTMIESA-N
XLogP2.06
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 879223) is 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is CC[C@H](C)Nc1nc(NC)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is QTAUTRGGIVNZDI-LURJTMIESA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-4-6(2)15-8-16-7(14-3)17-9(18-8)19-5-10(11,12)13/h6H,4-5H2,1-3H3,(H2,14,15,16,17,18)/t6-/m0/s1.
What are the key properties of 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.27 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 879223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).