2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C13H22F3N5O — CID 140573695

IUPAC2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CN(CC(C)C)c1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C13H22F3N5O/c1-8(2)5-21(6-9(3)4)11-18-10(17)19-12(20-11)22-7-13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,19,20)
InChIKeyNKUGDEKTDDAHCE-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.51
Rot. Bonds7

About 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 140573695) has the molecular formula C13H22F3N5O and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID140573695
Molecular FormulaC13H22F3N5O
Molecular Weight321.35 g/mol
Exact Mass321.18
IUPAC Name2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CN(CC(C)C)c1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C13H22F3N5O/c1-8(2)5-21(6-9(3)4)11-18-10(17)19-12(20-11)22-7-13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,19,20)
InChIKeyNKUGDEKTDDAHCE-UHFFFAOYSA-N
XLogP2.51
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
N-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987
4-N-butyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 126478020
2-N,2-N-diethyl-6-methoxy-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 20453896
4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 62870480
2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 80843053
2-N,2-N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 80868128
2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 175232804
2-N-[(2S)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 879223
2-N-[(2R)-butan-2-yl]-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 879224
4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 1115548
4-N-[(2S)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 1115549

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 140573695) is 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is CC(C)CN(CC(C)C)c1nc(N)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is NKUGDEKTDDAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5O/c1-8(2)5-21(6-9(3)4)11-18-10(17)19-12(20-11)22-7-13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 321.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 140573695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).