2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine

C9H18N6O2 — CID 70477811

IUPAC2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOC(Nc1nc(N)nc(N)n1)OCC(C)C
InChIInChI=1S/C9H18N6O2/c1-5(2)4-17-9(16-3)15-8-13-6(10)12-7(11)14-8/h5,9H,4H2,1-3H3,(H5,10,11,12,13,14,15)
InChIKeyLRDQXPKGMOCTAM-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.05
Rot. Bonds6

About 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine

2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 70477811) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID70477811
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOC(Nc1nc(N)nc(N)n1)OCC(C)C
InChIInChI=1S/C9H18N6O2/c1-5(2)4-17-9(16-3)15-8-13-6(10)12-7(11)14-8/h5,9H,4H2,1-3H3,(H5,10,11,12,13,14,15)
InChIKeyLRDQXPKGMOCTAM-UHFFFAOYSA-N
XLogP0.05
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 27784
2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine
CID 21183458
4-N-methoxy-2-N,4-N-dimethyl-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine
CID 142654905
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 68938423
2-N,2-N,4-N,4-N,6-N,6-N-hexakis[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 54547524
1,3,5-triazine-2,4,6-triamine;trimethoxymethane
CID 135335672
2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 104830638
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 90392503
4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine
CID 118167296
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842933
formaldehyde;2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 21279630

Frequently Asked Questions

What is the IUPAC name of 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine (CID 70477811) is 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine is COC(Nc1nc(N)nc(N)n1)OCC(C)C.
What is the InChIKey of 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LRDQXPKGMOCTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-5(2)4-17-9(16-3)15-8-13-6(10)12-7(11)14-8/h5,9H,4H2,1-3H3,(H5,10,11,12,13,14,15).
What are the key properties of 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 242.28 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70477811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).