4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine

C6H9FN4O — CID 130665538

IUPAC4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C6H9FN4O/c1-3(7)4-9-5(8)11-6(10-4)12-2/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyCAZYDXYRHQVZKY-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.49
Rot. Bonds2

About 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine

4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 130665538) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID130665538
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC Name4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C6H9FN4O/c1-3(7)4-9-5(8)11-6(10-4)12-2/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyCAZYDXYRHQVZKY-UHFFFAOYSA-N
XLogP0.49
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine (CID 130665538) is 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(C(C)F)n1.
What is the InChIKey of 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is CAZYDXYRHQVZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c1-3(7)4-9-5(8)11-6(10-4)12-2/h3H,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine?
4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 172.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 130665538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).