2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine

C8H15N5O2 — CID 89060063

IUPAC2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCNc1nc(C)nc(N(C)OC)n1
InChIInChI=1S/C8H15N5O2/c1-6-10-7(9-5-14-3)12-8(11-6)13(2)15-4/h5H2,1-4H3,(H,9,10,11,12)
InChIKeyOQMZIUGFZWKDDE-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.19
Rot. Bonds5

About 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine

2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 89060063) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID89060063
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCNc1nc(C)nc(N(C)OC)n1
InChIInChI=1S/C8H15N5O2/c1-6-10-7(9-5-14-3)12-8(11-6)13(2)15-4/h5H2,1-4H3,(H,9,10,11,12)
InChIKeyOQMZIUGFZWKDDE-UHFFFAOYSA-N
XLogP0.19
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 89060063) is 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine is COCNc1nc(C)nc(N(C)OC)n1.
What is the InChIKey of 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OQMZIUGFZWKDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-6-10-7(9-5-14-3)12-8(11-6)13(2)15-4/h5H2,1-4H3,(H,9,10,11,12).
What are the key properties of 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 213.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89060063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).