2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine

C12H23N5O4 — CID 21131301

IUPAC2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCOCN(COC)c1nc(C)nc(N(COC)COC)n1
InChIInChI=1S/C12H23N5O4/c1-10-13-11(16(6-18-2)7-19-3)15-12(14-10)17(8-20-4)9-21-5/h6-9H2,1-5H3
InChIKeySDFODLXQWXFUKX-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.21
Rot. Bonds10

About 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 21131301) has the molecular formula C12H23N5O4 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID21131301
Molecular FormulaC12H23N5O4
Molecular Weight301.35 g/mol
Exact Mass301.18
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCOCN(COC)c1nc(C)nc(N(COC)COC)n1
InChIInChI=1S/C12H23N5O4/c1-10-13-11(16(6-18-2)7-19-3)15-12(14-10)17(8-20-4)9-21-5/h6-9H2,1-5H3
InChIKeySDFODLXQWXFUKX-UHFFFAOYSA-N
XLogP0.21
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 672105
4-(Dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 709138
N,N,4-Triethyl-6-methoxy-1,3,5-triazin-2-amine
CID 199902
N,N-Diethyl-4-methoxy-6-propyl-1,3,5-triazin-2-amine
CID 199908
1,3,5-Triazine, 2,4-dimethoxy-6-methyl-
CID 19904
N(2),N(2),N(4),N(4)-Tetrakis(methoxymethyl)-6-(3,3,3-tribromopropyl)-1,3,5-triazine-2,4-diamine
CID 326851
2-N,2-N,4-N,4-N-tetraethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 33385
N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylacetamide
CID 910867
2-N,2-N-bis(methoxymethyl)-4-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine
CID 18344492
2-N-[(dimethylamino)methyl]-2-N,4-N,4-N,6-tetramethyl-1,3,5-triazine-2,4-diamine
CID 18715895
4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine
CID 18737804
[[4-[Bis(hydroxymethoxymethoxymethyl)amino]-6-methyl-1,3,5-triazin-2-yl]-(hydroxymethoxymethoxymethyl)amino]methoxymethoxymethanol
CID 20648433

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine (CID 21131301) is 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine is COCN(COC)c1nc(C)nc(N(COC)COC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SDFODLXQWXFUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O4/c1-10-13-11(16(6-18-2)7-19-3)15-12(14-10)17(8-20-4)9-21-5/h6-9H2,1-5H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 301.35 g/mol, XLogP of 0.21, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21131301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).