2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine

C5H10N6O2 — CID 11458114

IUPAC2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCONc1nc(N)nc(NOC)n1
InChIInChI=1S/C5H10N6O2/c1-12-10-4-7-3(6)8-5(9-4)11-13-2/h1-2H3,(H4,6,7,8,9,10,11)
InChIKeyGGVNTDNHVNUVJT-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.60
Rot. Bonds4

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

2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 11458114) has the molecular formula C5H10N6O2 and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID11458114
Molecular FormulaC5H10N6O2
Molecular Weight186.18 g/mol
Exact Mass186.09
IUPAC Name2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCONc1nc(N)nc(NOC)n1
InChIInChI=1S/C5H10N6O2/c1-12-10-4-7-3(6)8-5(9-4)11-13-2/h1-2H3,(H4,6,7,8,9,10,11)
InChIKeyGGVNTDNHVNUVJT-UHFFFAOYSA-N
XLogP-0.60
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Melamine formaldehyde
CID 93374
2,4,6-Trimethoxy-1,3,5-triazine
CID 13419
6-Methoxyguanamine
CID 17803
DiMMM
CID 19596820
N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226433
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
2,4,6-Tris(methoxy(methyl)amino)-1,3,5-triazine
CID 379202
4-Methoxy-2,3,5-triazine
CID 46191705
N-Hydroxy-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 71443744
N2-Methoxy-1,3,5-triazine-2,4,6-triamine
CID 11400900
Hydroxyl-methyl-melamine
CID 18177589
N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexamethoxy-1,3,5-triazine-2,4,6-triamine
CID 18981593

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine (CID 11458114) is 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine is CONc1nc(N)nc(NOC)n1.
What is the InChIKey of 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GGVNTDNHVNUVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O2/c1-12-10-4-7-3(6)8-5(9-4)11-13-2/h1-2H3,(H4,6,7,8,9,10,11).
What are the key properties of 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 186.18 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11458114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).