4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine

C12H22N4O — CID 18737804

IUPAC4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(C)nc(N(CC)CC)n1
InChIInChI=1S/C12H22N4O/c1-5-8-9-17-12-14-10(4)13-11(15-12)16(6-2)7-3/h5-9H2,1-4H3
InChIKeyZOMHLQVKBXVBDL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.21
Rot. Bonds7

About 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine

4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine (PubChem CID 18737804) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine
PubChem CID18737804
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(C)nc(N(CC)CC)n1
InChIInChI=1S/C12H22N4O/c1-5-8-9-17-12-14-10(4)13-11(15-12)16(6-2)7-3/h5-9H2,1-4H3
InChIKeyZOMHLQVKBXVBDL-UHFFFAOYSA-N
XLogP2.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine (CID 18737804) is 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine is CCCCOc1nc(C)nc(N(CC)CC)n1.
What is the InChIKey of 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is ZOMHLQVKBXVBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-8-9-17-12-14-10(4)13-11(15-12)16(6-2)7-3/h5-9H2,1-4H3.
What are the key properties of 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine?
4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 18737804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).