4-fluoro-6-methoxy-1,3,5-triazin-2-amine

C4H5FN4O — CID 55281091

IUPAC4-fluoro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(F)n1
InChIInChI=1S/C4H5FN4O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H2,6,7,8,9)
InChIKeySWWYJSNCUQQOQU-UHFFFAOYSA-N
MW144.11 g/mol
LogP-0.40
Rot. Bonds1

About 4-fluoro-6-methoxy-1,3,5-triazin-2-amine

4-fluoro-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 55281091) has the molecular formula C4H5FN4O and a molecular weight of 144.11 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-1,3,5-triazin-2-amine
PubChem CID55281091
Molecular FormulaC4H5FN4O
Molecular Weight144.11 g/mol
Exact Mass144.04
IUPAC Name4-fluoro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(F)n1
InChIInChI=1S/C4H5FN4O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H2,6,7,8,9)
InChIKeySWWYJSNCUQQOQU-UHFFFAOYSA-N
XLogP-0.40
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-6-methoxy-1,3,5-triazin-2-amine (CID 55281091) is 4-fluoro-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(F)n1.
What is the InChIKey of 4-fluoro-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is SWWYJSNCUQQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H2,6,7,8,9).
What are the key properties of 4-fluoro-6-methoxy-1,3,5-triazin-2-amine?
4-fluoro-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 144.11 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55281091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).