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

C5H7FN4O — CID 142640054

IUPAC4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(F)nc(OC)n1
InChIInChI=1S/C5H7FN4O/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H,7,8,9,10)
InChIKeyIWAJRBVMVCHYQG-UHFFFAOYSA-N
MW158.14 g/mol
LogP0.06
Rot. Bonds2

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

4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 142640054) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID142640054
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(F)nc(OC)n1
InChIInChI=1S/C5H7FN4O/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H,7,8,9,10)
InChIKeyIWAJRBVMVCHYQG-UHFFFAOYSA-N
XLogP0.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 50.06
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-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 142640054) is 4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(F)nc(OC)n1.
What is the InChIKey of 4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is IWAJRBVMVCHYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H,7,8,9,10).
What are the key properties of 4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 158.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 142640054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).