2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine

C7H14N6O3 — CID 21189409

IUPAC2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(Nc1nc(N)nc(N)n1)(OC)OC
InChIInChI=1S/C7H14N6O3/c1-14-7(15-2,16-3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H5,8,9,10,11,12,13)
InChIKeyAOSPVUKRNAQARI-UHFFFAOYSA-N
MW230.23 g/mol
LogP-1.00
Rot. Bonds5

About 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 21189409) has the molecular formula C7H14N6O3 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID21189409
Molecular FormulaC7H14N6O3
Molecular Weight230.23 g/mol
Exact Mass230.11
IUPAC Name2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(Nc1nc(N)nc(N)n1)(OC)OC
InChIInChI=1S/C7H14N6O3/c1-14-7(15-2,16-3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H5,8,9,10,11,12,13)
InChIKeyAOSPVUKRNAQARI-UHFFFAOYSA-N
XLogP-1.00
TPSA130.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
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-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
1,3,5-Triazine, 2,4,6-trisdi(methoxy)methylamino-
CID 19020903
Dimethoxymethylmelamine
CID 18695060
Methyl (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803256
(4,6-Dimethoxy-1,3,5-triazin-2-yl)cyanamide
CID 13420038
Methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 23284142
Sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine
CID 23679923
2-N-[dimethoxy(methylperoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 53811375
methyl N'-(4,6-diamino-1,3,5-triazin-2-yl)carbamimidate
CID 54058125
2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 59409275
Methoxymethanol;1,3,5-triazine-2,4,6-triamine
CID 66783484
Dimethoxymethane;1,3,5-triazine-2,4,6-triamine
CID 66956177

Frequently Asked Questions

What is the IUPAC name of 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 21189409) is 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine is COC(Nc1nc(N)nc(N)n1)(OC)OC.
What is the InChIKey of 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AOSPVUKRNAQARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O3/c1-14-7(15-2,16-3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H5,8,9,10,11,12,13).
What are the key properties of 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 230.23 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21189409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).