2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C9H17N5O — CID 80785433

IUPAC2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NC)nc(OC)n1
InChIInChI=1S/C9H17N5O/c1-4-5-6-11-8-12-7(10-2)13-9(14-8)15-3/h4-6H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyVOHHLUSGLNHGIB-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.13
Rot. Bonds6

About 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80785433) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80785433
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NC)nc(OC)n1
InChIInChI=1S/C9H17N5O/c1-4-5-6-11-8-12-7(10-2)13-9(14-8)15-3/h4-6H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyVOHHLUSGLNHGIB-UHFFFAOYSA-N
XLogP1.13
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-N-(2-butoxyethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80819040
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106042094
2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525
ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
CID 80843895
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 115409503
6-methoxy-2-N-(2-methoxy-2-methylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 104767298
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
6-methoxy-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174661

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80785433) is 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCCCNc1nc(NC)nc(OC)n1.
What is the InChIKey of 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VOHHLUSGLNHGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-5-6-11-8-12-7(10-2)13-9(14-8)15-3/h4-6H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80785433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).