4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine

C5H10N4O — CID 150424695

IUPAC4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine
SMILESCOC1(N)N=CNC(C)=N1
InChIInChI=1S/C5H10N4O/c1-4-7-3-8-5(6,9-4)10-2/h3H,6H2,1-2H3,(H,7,8,9)
InChIKeyHINDUPOKKJFGKN-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.75
Rot. Bonds1

About 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine

4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine (PubChem CID 150424695) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine
PubChem CID150424695
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine
SMILESCOC1(N)N=CNC(C)=N1
InChIInChI=1S/C5H10N4O/c1-4-7-3-8-5(6,9-4)10-2/h3H,6H2,1-2H3,(H,7,8,9)
InChIKeyHINDUPOKKJFGKN-UHFFFAOYSA-N
XLogP-0.75
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine?
The IUPAC name of 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine (CID 150424695) is 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine is COC1(N)N=CNC(C)=N1.
What is the InChIKey of 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine?
The InChIKey is HINDUPOKKJFGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-4-7-3-8-5(6,9-4)10-2/h3H,6H2,1-2H3,(H,7,8,9).
What are the key properties of 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine?
4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine has a molecular weight of 142.16 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 150424695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).