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

C6H9FN4O — CID 54279763

IUPAC4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
SMILESCOCCNc1ncnc(F)n1
InChIInChI=1S/C6H9FN4O/c1-12-3-2-8-6-10-4-9-5(7)11-6/h4H,2-3H2,1H3,(H,8,9,10,11)
InChIKeyRHJZWJCMWBQZPH-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.07
Rot. Bonds4

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

4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine (PubChem CID 54279763) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
PubChem CID54279763
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC Name4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
SMILESCOCCNc1ncnc(F)n1
InChIInChI=1S/C6H9FN4O/c1-12-3-2-8-6-10-4-9-5(7)11-6/h4H,2-3H2,1H3,(H,8,9,10,11)
InChIKeyRHJZWJCMWBQZPH-UHFFFAOYSA-N
XLogP0.07
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.07
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

4,6-dichloro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 53816422
1,3,5-Triazin-2-amine, N-ethyl-4-methoxy-
CID 587452
(2'-Hydroxyethyl)amino-1,3,5-triazine
CID 19956672
4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 54335958
2-[(4-Fluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54438107
1-Fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 57190775
1-[(4-Fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 173314858
2-Amino-ethoxy-sym-triazine
CID 129789364
2-(2-Aminoethoxy)-sym-triazine hydrochloride
CID 129797585
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 63827548
6-methoxy-4-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80845502
6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846123

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine (CID 54279763) is 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine is COCCNc1ncnc(F)n1.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The InChIKey is RHJZWJCMWBQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c1-12-3-2-8-6-10-4-9-5(7)11-6/h4H,2-3H2,1H3,(H,8,9,10,11).
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine?
4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine has a molecular weight of 172.16 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 54279763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).