5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate

C11H18N6O2 — CID 154561579

IUPAC5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCNc1nc(N)nc(N)n1
InChIInChI=1S/C11H18N6O2/c1-2-8(18)19-7-5-3-4-6-14-11-16-9(12)15-10(13)17-11/h2H,1,3-7H2,(H5,12,13,14,15,16,17)
InChIKeyLPYUEVJPLCSSTA-UHFFFAOYSA-N
MW266.31 g/mol
LogP0.35
Rot. Bonds8

About 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate

5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate (PubChem CID 154561579) has the molecular formula C11H18N6O2 and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate.

Molecular Properties

Compound Name5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate
PubChem CID154561579
Molecular FormulaC11H18N6O2
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC Name5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCNc1nc(N)nc(N)n1
InChIInChI=1S/C11H18N6O2/c1-2-8(18)19-7-5-3-4-6-14-11-16-9(12)15-10(13)17-11/h2H,1,3-7H2,(H5,12,13,14,15,16,17)
InChIKeyLPYUEVJPLCSSTA-UHFFFAOYSA-N
XLogP0.35
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate?
The IUPAC name of 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate (CID 154561579) is 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate.
What is the SMILES notation for 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate?
The canonical SMILES for 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate is C=CC(=O)OCCCCCNc1nc(N)nc(N)n1.
What is the InChIKey of 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate?
The InChIKey is LPYUEVJPLCSSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-2-8(18)19-7-5-3-4-6-14-11-16-9(12)15-10(13)17-11/h2H,1,3-7H2,(H5,12,13,14,15,16,17).
What are the key properties of 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate?
5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate has a molecular weight of 266.31 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentyl prop-2-enoate is sourced from PubChem (CID 154561579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).