6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

C8H12F3N5O2 — CID 80846123

IUPAC6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O2/c1-17-7-15-5(12)14-6(16-7)13-2-3-18-4-8(9,10)11/h2-4H2,1H3,(H3,12,13,14,15,16)
InChIKeyMJTCVEKKLOVVEX-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.45
Rot. Bonds6

About 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80846123) has the molecular formula C8H12F3N5O2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80846123
Molecular FormulaC8H12F3N5O2
Molecular Weight267.21 g/mol
Exact Mass267.09
IUPAC Name6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O2/c1-17-7-15-5(12)14-6(16-7)13-2-3-18-4-8(9,10)11/h2-4H2,1H3,(H3,12,13,14,15,16)
InChIKeyMJTCVEKKLOVVEX-UHFFFAOYSA-N
XLogP0.45
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
N-methyl-4-(4-morpholinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 879151
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate
CID 44558575
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-butyl-amine
CID 627767
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
4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 54279763
4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 54335958
4-fluoro-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 148210050
6-chloro-4-N-(2-methoxyethyl)-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 156423192
6-chloro-4-N-(2-methoxyethyl)-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 156423197

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 80846123) is 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MJTCVEKKLOVVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O2/c1-17-7-15-5(12)14-6(16-7)13-2-3-18-4-8(9,10)11/h2-4H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 267.21 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80846123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).