1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C15H23N5O — CID 23275698

IUPAC1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1
InChIInChI=1S/C15H23N5O/c1-4-5-9-21-12-8-6-7-11(10-12)20-14(17)18-13(16)19-15(20,2)3/h6-8,10H,4-5,9H2,1-3H3,(H4,16,17,18,19)
InChIKeyVRXFDHXUFJMNEH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.05
Rot. Bonds5

About 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 23275698) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID23275698
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1
InChIInChI=1S/C15H23N5O/c1-4-5-9-21-12-8-6-7-11(10-12)20-14(17)18-13(16)19-15(20,2)3/h6-8,10H,4-5,9H2,1-3H3,(H4,16,17,18,19)
InChIKeyVRXFDHXUFJMNEH-UHFFFAOYSA-N
XLogP2.05
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 23275698) is 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1.
What is the InChIKey of 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VRXFDHXUFJMNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-5-9-21-12-8-6-7-11(10-12)20-14(17)18-13(16)19-15(20,2)3/h6-8,10H,4-5,9H2,1-3H3,(H4,16,17,18,19).
What are the key properties of 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23275698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).