6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine

C9H17N5O4 — CID 122446894

IUPAC6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCOC(OC)C(OC)(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C9H17N5O4/c1-15-6(16-2)9(17-3,18-4)5-12-7(10)14-8(11)13-5/h6H,1-4H3,(H4,10,11,12,13,14)
InChIKeyTVSHCWYZPLTSRR-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.90
Rot. Bonds6

About 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine

6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 122446894) has the molecular formula C9H17N5O4 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID122446894
Molecular FormulaC9H17N5O4
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCOC(OC)C(OC)(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C9H17N5O4/c1-15-6(16-2)9(17-3,18-4)5-12-7(10)14-8(11)13-5/h6H,1-4H3,(H4,10,11,12,13,14)
InChIKeyTVSHCWYZPLTSRR-UHFFFAOYSA-N
XLogP-0.90
TPSA127.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-triazine-2,4,6-triamine;trimethoxymethane
CID 135335672
1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
CID 89428921
4-(2-methoxypropan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 79195236
6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 175268075
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
4,6-ditert-butyl-1,3,5-triazin-2-amine
CID 63869153
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal
CID 165489957
1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol
CID 158234542
6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine;1,2-xylene
CID 175268076

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine (CID 122446894) is 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine is COC(OC)C(OC)(OC)c1nc(N)nc(N)n1.
What is the InChIKey of 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TVSHCWYZPLTSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O4/c1-15-6(16-2)9(17-3,18-4)5-12-7(10)14-8(11)13-5/h6H,1-4H3,(H4,10,11,12,13,14).
What are the key properties of 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine?
6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 259.27 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 122446894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).