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

C16H25N5O — CID 15289761

IUPAC6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C16H25N5O/c1-4-5-6-11-22-13-9-7-12(8-10-13)21-15(18)19-14(17)20-16(21,2)3/h7-10H,4-6,11H2,1-3H3,(H4,17,18,19,20)
InChIKeyJKTCZPCDEUBDBJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.44
Rot. Bonds6

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

6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15289761) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID15289761
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C16H25N5O/c1-4-5-6-11-22-13-9-7-12(8-10-13)21-15(18)19-14(17)20-16(21,2)3/h7-10H,4-6,11H2,1-3H3,(H4,17,18,19,20)
InChIKeyJKTCZPCDEUBDBJ-UHFFFAOYSA-N
XLogP2.44
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.44
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 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 15289761) is 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine is CCCCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JKTCZPCDEUBDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-5-6-11-22-13-9-7-12(8-10-13)21-15(18)19-14(17)20-16(21,2)3/h7-10H,4-6,11H2,1-3H3,(H4,17,18,19,20).
What are the key properties of 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 303.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15289761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).