4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine

C6H8F2N4O — CID 54335958

IUPAC4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(F)nc(F)n1
InChIInChI=1S/C6H8F2N4O/c1-13-3-2-9-6-11-4(7)10-5(8)12-6/h2-3H2,1H3,(H,9,10,11,12)
InChIKeyTVMCWJQWLJNOLT-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.21
Rot. Bonds4

About 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine

4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine (PubChem CID 54335958) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
PubChem CID54335958
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(F)nc(F)n1
InChIInChI=1S/C6H8F2N4O/c1-13-3-2-9-6-11-4(7)10-5(8)12-6/h2-3H2,1H3,(H,9,10,11,12)
InChIKeyTVMCWJQWLJNOLT-UHFFFAOYSA-N
XLogP0.21
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-ethylamino-6-methoxy-s-triazine
CID 35107
4,6-dichloro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 53816422
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
4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 54279763
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54479155
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
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 264888
2-Methoxy-4-methylamino-6-ethylamino-1,3,5-triazin
CID 80770839

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine (CID 54335958) is 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine is COCCNc1nc(F)nc(F)n1.
What is the InChIKey of 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The InChIKey is TVMCWJQWLJNOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-13-3-2-9-6-11-4(7)10-5(8)12-6/h2-3H2,1H3,(H,9,10,11,12).
What are the key properties of 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine?
4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine has a molecular weight of 190.15 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 54335958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).