2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine

C7H16N6O3 — CID 89428922

IUPAC2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(CO)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O3.C3H6N6/c1-6-4(3-5)7-2;4-1-7-2(5)9-3(6)8-1/h4-5H,3H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyFVVUOLDCFCCYCT-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.78
Rot. Bonds3

About 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine

2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 89428922) has the molecular formula C7H16N6O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
PubChem CID89428922
Molecular FormulaC7H16N6O3
Molecular Weight232.24 g/mol
Exact Mass232.13
IUPAC Name2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(CO)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O3.C3H6N6/c1-6-4(3-5)7-2;4-1-7-2(5)9-3(6)8-1/h4-5H,3H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyFVVUOLDCFCCYCT-UHFFFAOYSA-N
XLogP-1.78
TPSA155.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
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

2-[(4,6-Diamino-1,3,5-triazin-2-yl)oxy]ethanol
CID 11970841
1,1,1,2,3,3-Hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine
CID 19767302
1,3,5-Triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol
CID 19767305
Ethoxymethanol;1,3,5-triazine-2,4,6-triamine
CID 67748319
2-(2-Hydroxyethoxy)ethanol;1,3,5-triazine-2,4,6-triamine
CID 67847762
2-Ethoxyethanol;1,3,5-triazine-2,4,6-triamine
CID 70531198
Butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine
CID 87187433
1,1-Dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
CID 89428921
1,1,1,3,3,3-Hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine
CID 160080079
1,3,5-Triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol
CID 160583275
2-Hydroxyethyl formate;1,3,5-triazine-2,4,6-triamine
CID 174110169
2-[(4-Amino-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol
CID 80859663

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine (CID 89428922) is 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine is COC(CO)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is FVVUOLDCFCCYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C3H6N6/c1-6-4(3-5)7-2;4-1-7-2(5)9-3(6)8-1/h4-5H,3H2,1-2H3;(H6,4,5,6,7,8,9).
What are the key properties of 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine?
2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 232.24 g/mol, XLogP of -1.78, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 89428922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).