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

C7H10F3N5O — CID 19777636

IUPAC2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC)nc(OC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5O/c1-3-12-5-13-4(11-2)14-6(15-5)16-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyPUEGXCPRCJXEKH-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.24
Rot. Bonds4

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

2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 19777636) has the molecular formula C7H10F3N5O and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID19777636
Molecular FormulaC7H10F3N5O
Molecular Weight237.18 g/mol
Exact Mass237.08
IUPAC Name2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC)nc(OC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5O/c1-3-12-5-13-4(11-2)14-6(15-5)16-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyPUEGXCPRCJXEKH-UHFFFAOYSA-N
XLogP1.24
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Simeton
CID 12654
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
1,3,5-Triazine-2,4,6-triamine, N,N'-diethyl-
CID 21816
1,3,5-Triazine-2,4-diamine, 6-methoxy-N-(1-methylethyl)-
CID 2735355
2-Fluoro-4,6-bis[(2,2,2-trifluoroethyl)amino]-1,3,5-triazine
CID 10447086
2,4-Diamino-6-ethylamino-1,3,5-triazine
CID 21819
2-Amino-4-ethylamino-6-methoxy-s-triazine
CID 35107
2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 132607734
2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10384630
2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
CID 12611
N-ethyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 35292
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

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine (CID 19777636) is 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine is CCNc1nc(NC)nc(OC(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is PUEGXCPRCJXEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O/c1-3-12-5-13-4(11-2)14-6(15-5)16-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 237.18 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19777636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).