2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine

C20H40N6O4 — CID 18695062

IUPAC2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCONc1nc(N(C)OCCCC)nc(N(OCCCC)OCCCC)n1
InChIInChI=1S/C20H40N6O4/c1-6-10-14-27-24-18-21-19(25(5)28-15-11-7-2)23-20(22-18)26(29-16-12-8-3)30-17-13-9-4/h6-17H2,1-5H3,(H,21,22,23,24)
InChIKeyHUCVNQZXLTYKLX-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.45
Rot. Bonds19

About 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 18695062) has the molecular formula C20H40N6O4 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID18695062
Molecular FormulaC20H40N6O4
Molecular Weight428.58 g/mol
Exact Mass428.31
IUPAC Name2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCONc1nc(N(C)OCCCC)nc(N(OCCCC)OCCCC)n1
InChIInChI=1S/C20H40N6O4/c1-6-10-14-27-24-18-21-19(25(5)28-15-11-7-2)23-20(22-18)26(29-16-12-8-3)30-17-13-9-4/h6-17H2,1-5H3,(H,21,22,23,24)
InChIKeyHUCVNQZXLTYKLX-UHFFFAOYSA-N
XLogP4.45
TPSA94.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695052
2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695053
2-N,2-N,4-N,4-N,6-N-pentabutoxy-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695054
[[4-Amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
CID 18944679
2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19877060
2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19960736
2-N,2-N,4-N-tributoxy-4-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20312324
2-N,2-N,4-N-triethoxy-1,3,5-triazine-2,4,6-triamine
CID 20360864
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20509508
2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine
CID 21183458
[Butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
CID 21195076
[[4-[Butoxy(hydroxymethyl)amino]-6-(dibutoxyamino)-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 21485396

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 18695062) is 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCONc1nc(N(C)OCCCC)nc(N(OCCCC)OCCCC)n1.
What is the InChIKey of 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HUCVNQZXLTYKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6O4/c1-6-10-14-27-24-18-21-19(25(5)28-15-11-7-2)23-20(22-18)26(29-16-12-8-3)30-17-13-9-4/h6-17H2,1-5H3,(H,21,22,23,24).
What are the key properties of 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 428.58 g/mol, XLogP of 4.45, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18695062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).