6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine

C13H25N5O — CID 80801244

IUPAC6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCC(C)Nc1nc(N)nc(OCC)n1
InChIInChI=1S/C13H25N5O/c1-4-6-7-8-9-10(3)15-12-16-11(14)17-13(18-12)19-5-2/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyWTMWZLHDNFDBMF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.62
Rot. Bonds9

About 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80801244) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID80801244
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCC(C)Nc1nc(N)nc(OCC)n1
InChIInChI=1S/C13H25N5O/c1-4-6-7-8-9-10(3)15-12-16-11(14)17-13(18-12)19-5-2/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyWTMWZLHDNFDBMF-UHFFFAOYSA-N
XLogP2.62
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746495
2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80781816
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
4-ethoxy-5-N-octan-2-yl-1,2-thiazole-3,5-diamine
CID 103360011
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine (CID 80801244) is 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine is CCCCCCC(C)Nc1nc(N)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WTMWZLHDNFDBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-6-7-8-9-10(3)15-12-16-11(14)17-13(18-12)19-5-2/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.38 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80801244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).