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

C10H16N4O2 — CID 80861844

IUPAC4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C10H16N4O2/c1-4-5-6-15-9-12-8(11)13-10(14-9)16-7(2)3/h4,7H,1,5-6H2,2-3H3,(H2,11,12,13,14)
InChIKeyXBJLWVCAJUXFPB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.20
Rot. Bonds6

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

4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80861844) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80861844
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C10H16N4O2/c1-4-5-6-15-9-12-8(11)13-10(14-9)16-7(2)3/h4,7H,1,5-6H2,2-3H3,(H2,11,12,13,14)
InChIKeyXBJLWVCAJUXFPB-UHFFFAOYSA-N
XLogP1.20
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.20
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'}

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Related Compounds

4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80877210
4-but-3-enoxy-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861655
4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862211
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 112590935
4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
CID 82795407
4-(3-methoxy-3-methylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106669229
4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 80877207
4-but-3-enoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861454
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
4-(1-phenylethoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80859517
4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861761

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80861844) is 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine is C=CCCOc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is XBJLWVCAJUXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-5-6-15-9-12-8(11)13-10(14-9)16-7(2)3/h4,7H,1,5-6H2,2-3H3,(H2,11,12,13,14).
What are the key properties of 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).