2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H23N5O2 — CID 80846117

IUPAC2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCCOC2CCCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-19-13-17-11(14-2)16-12(18-13)15-8-9-20-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyMAQYIDSDPQYVDB-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.68
Rot. Bonds8

About 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80846117) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80846117
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCCOC2CCCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-19-13-17-11(14-2)16-12(18-13)15-8-9-20-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyMAQYIDSDPQYVDB-UHFFFAOYSA-N
XLogP1.68
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80820286
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80814591
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80871773
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80815043
6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80840993
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421220
4-ethoxy-6-(3-methoxycyclohexyl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 80876648
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80846117) is 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NCCOC2CCCC2)n1.
What is the InChIKey of 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MAQYIDSDPQYVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-19-13-17-11(14-2)16-12(18-13)15-8-9-20-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80846117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).