4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

C9H14N4O2 — CID 80868297

IUPAC4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C9H14N4O2/c1-4-5-14-8-11-7(10)12-9(13-8)15-6(2)3/h4,6H,1,5H2,2-3H3,(H2,10,11,12,13)
InChIKeyBQDOWGPFSRTEQO-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.81
Rot. Bonds5

About 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 80868297) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID80868297
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C9H14N4O2/c1-4-5-14-8-11-7(10)12-9(13-8)15-6(2)3/h4,6H,1,5H2,2-3H3,(H2,10,11,12,13)
InChIKeyBQDOWGPFSRTEQO-UHFFFAOYSA-N
XLogP0.81
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Triallyl cyanurate
CID 7555
s-Triazine, 2-(allyloxy)-4,6-diamino-
CID 22721
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
2,4-Bis(allyloxy)-6-chloro-1,3,5-triazine
CID 84514
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
4-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
2,4-Diallyloxy-6-t-butylperoxy-1,3,5-triazine
CID 20029046
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
4-Prop-2-enoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777652
O-prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamothioate
CID 12803263
2,4-Bis(tert-butylperoxy)-6-prop-2-enoxy-1,3,5-triazine
CID 20029048

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 80868297) is 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is BQDOWGPFSRTEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-4-5-14-8-11-7(10)12-9(13-8)15-6(2)3/h4,6H,1,5H2,2-3H3,(H2,10,11,12,13).
What are the key properties of 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 210.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).