2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate

C17H28N6O2 — CID 59235523

IUPAC2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNc1nc(NCCCC)nc(N2CCCCC2)n1
InChIInChI=1S/C17H28N6O2/c1-3-5-9-18-15-20-16(19-10-13-25-14(24)4-2)22-17(21-15)23-11-7-6-8-12-23/h4H,2-3,5-13H2,1H3,(H2,18,19,20,21,22)
InChIKeyCJDKNSOKILBXKD-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.21
Rot. Bonds10

About 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate

2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate (PubChem CID 59235523) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
PubChem CID59235523
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNc1nc(NCCCC)nc(N2CCCCC2)n1
InChIInChI=1S/C17H28N6O2/c1-3-5-9-18-15-20-16(19-10-13-25-14(24)4-2)22-17(21-15)23-11-7-6-8-12-23/h4H,2-3,5-13H2,1H3,(H2,18,19,20,21,22)
InChIKeyCJDKNSOKILBXKD-UHFFFAOYSA-N
XLogP2.21
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[1-[4,6-Bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate
CID 13377432
[1-[4-(Prop-2-enylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate
CID 15729050
2-[[4,6-Bis(butylamino)-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
CID 59235520
2-[[4,6-Bis(butylamino)-1,3,5-triazin-2-yl]amino]ethyl 2-methylprop-2-enoate
CID 59235525
5-[[4,6-Bis(butylamino)-1,3,5-triazin-2-yl]amino]pentyl prop-2-enoate
CID 59235527
2-[[4-Amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
CID 89416614
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 23956929

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate?
The IUPAC name of 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate (CID 59235523) is 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate is C=CC(=O)OCCNc1nc(NCCCC)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate?
The InChIKey is CJDKNSOKILBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-3-5-9-18-15-20-16(19-10-13-25-14(24)4-2)22-17(21-15)23-11-7-6-8-12-23/h4H,2-3,5-13H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate?
2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate has a molecular weight of 348.45 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 59235523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).