2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine

C13H26N6O2 — CID 11347064

IUPAC2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(OC)c1nc(N)nc(N(CCCC)OC)n1
InChIInChI=1S/C13H26N6O2/c1-5-7-9-18(20-3)12-15-11(14)16-13(17-12)19(21-4)10-8-6-2/h5-10H2,1-4H3,(H2,14,15,16,17)
InChIKeyMFCCROVDHVDXMJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.79
Rot. Bonds10

About 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine

2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 11347064) has the molecular formula C13H26N6O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID11347064
Molecular FormulaC13H26N6O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(OC)c1nc(N)nc(N(CCCC)OC)n1
InChIInChI=1S/C13H26N6O2/c1-5-7-9-18(20-3)12-15-11(14)16-13(17-12)19(21-4)10-8-6-2/h5-10H2,1-4H3,(H2,14,15,16,17)
InChIKeyMFCCROVDHVDXMJ-UHFFFAOYSA-N
XLogP1.79
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(butylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226431
Ena-001
CID 57340959
Butylamino-4-ethylamino-6-methoxy-s-triazine
CID 14877225
N~2~,N~2~-diethyl-N~4~-propoxy-1,3,5-triazine-2,4,6-triamine
CID 4401790
N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 45029482
2-Methoxy-4-n-propylamino-6-meth-oxyamino-sym-triazine
CID 129785098
2-Chloro-4-di-n-propylamino-6-methoxyamino-sym-triazine
CID 129788947
2-Methoxy-4-di-n-propylamino-6-methoxyamino-sym-triazine
CID 129788983
2-Chloro-4-di-n-butylamino-6-methoxyamino-sym-triazine
CID 129789210
N-butyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 35018
2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 11148548
2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 11389781

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine (CID 11347064) is 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine is CCCCN(OC)c1nc(N)nc(N(CCCC)OC)n1.
What is the InChIKey of 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MFCCROVDHVDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O2/c1-5-7-9-18(20-3)12-15-11(14)16-13(17-12)19(21-4)10-8-6-2/h5-10H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 298.39 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11347064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).