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

C11H18N4O2 — CID 80877210

IUPAC4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-4-5-6-7-16-10-13-9(12)14-11(15-10)17-8(2)3/h4,8H,1,5-7H2,2-3H3,(H2,12,13,14,15)
InChIKeyKYFDYOHLZKPBPF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds7

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

4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80877210) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80877210
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-4-5-6-7-16-10-13-9(12)14-11(15-10)17-8(2)3/h4,8H,1,5-7H2,2-3H3,(H2,12,13,14,15)
InChIKeyKYFDYOHLZKPBPF-UHFFFAOYSA-N
XLogP1.59
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861844
4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 80877207
4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
CID 82795407
4-but-3-enoxy-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861655
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 112590935
4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862211
4-(3-methoxy-3-methylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106669229
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
4-(1-phenylethoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80859517
4-butyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106659288
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877469

Frequently Asked Questions

What is the IUPAC name of 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80877210) is 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine is C=CCCCOc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is KYFDYOHLZKPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-5-6-7-16-10-13-9(12)14-11(15-10)17-8(2)3/h4,8H,1,5-7H2,2-3H3,(H2,12,13,14,15).
What are the key properties of 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).