4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine

C9H16N4O2 — CID 80867376

IUPAC4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OC(C)CC)n1
InChIInChI=1S/C9H16N4O2/c1-4-6(3)15-9-12-7(10)11-8(13-9)14-5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyFSRVHTDVKQXOCF-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.03
Rot. Bonds5

About 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine

4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 80867376) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID80867376
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OC(C)CC)n1
InChIInChI=1S/C9H16N4O2/c1-4-6(3)15-9-12-7(10)11-8(13-9)14-5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyFSRVHTDVKQXOCF-UHFFFAOYSA-N
XLogP1.03
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine (CID 80867376) is 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(OC(C)CC)n1.
What is the InChIKey of 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is FSRVHTDVKQXOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-6(3)15-9-12-7(10)11-8(13-9)14-5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine?
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 212.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).