2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C10H20N6O2 — CID 54143277

IUPAC2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCN(C)c1nc(N)nc(NOC)n1
InChIInChI=1S/C10H20N6O2/c1-4-5-6-18-7-16(2)10-13-8(11)12-9(14-10)15-17-3/h4-7H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyOCOUZTPMMDDRKY-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.64
Rot. Bonds8

About 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 54143277) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID54143277
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCN(C)c1nc(N)nc(NOC)n1
InChIInChI=1S/C10H20N6O2/c1-4-5-6-18-7-16(2)10-13-8(11)12-9(14-10)15-17-3/h4-7H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyOCOUZTPMMDDRKY-UHFFFAOYSA-N
XLogP0.64
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

s-Triazine-1,3,5-triamine, N,N',N''-tris(ethoxymethyl)-
CID 3057112
({4-(Dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl}oxy)acetonitrile
CID 1903638
4,6-Bis(2-methylpropoxy)-1,3,5-triazin-2-amine
CID 172447454
N~2~,N~4~,N~6~-Tris(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20822524
6-Ethoxy-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 45091341
2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 82794549
2-Amino-4-butoxy-6-methylamino-s-triazine
CID 459155
N-Methoxy-N',N'-dimethyl-6-cyanomethyloxy-1,3,5-triazine-2,4-diamine
CID 606609
4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 13160132
2-N,2-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 17865452
2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695052

Frequently Asked Questions

What is the IUPAC name of 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 54143277) is 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCOCN(C)c1nc(N)nc(NOC)n1.
What is the InChIKey of 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OCOUZTPMMDDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-4-5-6-18-7-16(2)10-13-8(11)12-9(14-10)15-17-3/h4-7H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 256.31 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 54143277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).