2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

C13H25N5O — CID 80839472

IUPAC2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(C)CCC(C)C)n1
InChIInChI=1S/C13H25N5O/c1-5-8-19-13-17-11(14)16-12(18-13)15-10(4)7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H3,14,15,16,17,18)
InChIKeyZINHGXDFUCESQI-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.48
Rot. Bonds8

About 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80839472) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80839472
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(C)CCC(C)C)n1
InChIInChI=1S/C13H25N5O/c1-5-8-19-13-17-11(14)16-12(18-13)15-10(4)7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H3,14,15,16,17,18)
InChIKeyZINHGXDFUCESQI-UHFFFAOYSA-N
XLogP2.48
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
CID 80801244
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80825223
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80839472) is 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NC(C)CCC(C)C)n1.
What is the InChIKey of 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ZINHGXDFUCESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-8-19-13-17-11(14)16-12(18-13)15-10(4)7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 267.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80839472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).