[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol

C8H13F3N6O — CID 10333116

IUPAC[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
SMILESCNc1nc(NC)nc(N(CO)CC(F)(F)F)n1
InChIInChI=1S/C8H13F3N6O/c1-12-5-14-6(13-2)16-7(15-5)17(4-18)3-8(9,10)11/h18H,3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyCLDLHUKCEGTAAS-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.27
Rot. Bonds5

About [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol

[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol (PubChem CID 10333116) has the molecular formula C8H13F3N6O and a molecular weight of 266.23 g/mol. Its IUPAC name is [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol.

Molecular Properties

Compound Name[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
PubChem CID10333116
Molecular FormulaC8H13F3N6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
SMILESCNc1nc(NC)nc(N(CO)CC(F)(F)F)n1
InChIInChI=1S/C8H13F3N6O/c1-12-5-14-6(13-2)16-7(15-5)17(4-18)3-8(9,10)11/h18H,3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyCLDLHUKCEGTAAS-UHFFFAOYSA-N
XLogP0.27
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 9978430
[[4,6-Bis[hydroxymethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10457038
[[4-(Methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10019773
2-N,2-N,4-N,4-N-tetramethyl-6-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10038427
6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10425108
[[4-[Hydroxymethyl(2,2,2-trifluoroethyl)amino]-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10477894
2-Difluoromethoxy-4-ethylamino-6-isopropylamino-1,3,5-triazine
CID 14014318
[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 14925798
2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 19777636
2-N-ethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 19777655
1-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 19897300
2-N,4-N-dimethyl-2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 53729218

Frequently Asked Questions

What is the IUPAC name of [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The IUPAC name of [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol (CID 10333116) is [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol.
What is the SMILES notation for [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The canonical SMILES for [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol is CNc1nc(NC)nc(N(CO)CC(F)(F)F)n1.
What is the InChIKey of [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The InChIKey is CLDLHUKCEGTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N6O/c1-12-5-14-6(13-2)16-7(15-5)17(4-18)3-8(9,10)11/h18H,3-4H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol has a molecular weight of 266.23 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol is sourced from PubChem (CID 10333116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).