N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine

C6H4F6N4O2 — CID 19006221

IUPACN-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1
InChIInChI=1S/C6H4F6N4O2/c1-13-2-14-3(17-5(7,8)9)16-4(15-2)18-6(10,11)12/h1H3,(H,13,14,15,16)
InChIKeyYJEGPQPYKPDTKT-UHFFFAOYSA-N
MW278.11 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine

N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 19006221) has the molecular formula C6H4F6N4O2 and a molecular weight of 278.11 g/mol. Its IUPAC name is N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID19006221
Molecular FormulaC6H4F6N4O2
Molecular Weight278.11 g/mol
Exact Mass278.02
IUPAC NameN-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1
InChIInChI=1S/C6H4F6N4O2/c1-13-2-14-3(17-5(7,8)9)16-4(15-2)18-6(10,11)12/h1H3,(H,13,14,15,16)
InChIKeyYJEGPQPYKPDTKT-UHFFFAOYSA-N
XLogP1.71
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 15010389
4-Fluoro-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 15010390
4-[chloro(difluoro)methoxy]-6-fluoro-N-methyl-1,3,5-triazin-2-amine
CID 15010391
6-[chloro(difluoro)methoxy]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 15010392
2-Amino-4-methoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010393
2-Amino-4-methylamino-6-trifluoromethoxy-1,3,5-triazine
CID 15010397
6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 15010398
2-Amino-4-dimethylamino-6-trifluoromethoxy-1,3,5-triazine
CID 15010399
4-chloro-6-[chloro(difluoro)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 19006216
4-chloro-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006228
6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 19777637
4-methoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777639

Frequently Asked Questions

What is the IUPAC name of N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine (CID 19006221) is N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine is CNc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1.
What is the InChIKey of N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is YJEGPQPYKPDTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N4O2/c1-13-2-14-3(17-5(7,8)9)16-4(15-2)18-6(10,11)12/h1H3,(H,13,14,15,16).
What are the key properties of N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine?
N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 278.11 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).