2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol

C21H26N6O — CID 1237510

IUPAC2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCCN(CC)c1nc(Nc2cc(C)ccc2C)nc(Nc2ccccc2O)n1
InChIInChI=1S/C21H26N6O/c1-5-27(6-2)21-25-19(22-16-9-7-8-10-18(16)28)24-20(26-21)23-17-13-14(3)11-12-15(17)4/h7-13,28H,5-6H2,1-4H3,(H2,22,23,24,25,26)
InChIKeyYVHHPQKCJBJYSC-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.53
Rot. Bonds7

About 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol

2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 1237510) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID1237510
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCCN(CC)c1nc(Nc2cc(C)ccc2C)nc(Nc2ccccc2O)n1
InChIInChI=1S/C21H26N6O/c1-5-27(6-2)21-25-19(22-16-9-7-8-10-18(16)28)24-20(26-21)23-17-13-14(3)11-12-15(17)4/h7-13,28H,5-6H2,1-4H3,(H2,22,23,24,25,26)
InChIKeyYVHHPQKCJBJYSC-UHFFFAOYSA-N
XLogP4.53
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol (CID 1237510) is 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol is CCN(CC)c1nc(Nc2cc(C)ccc2C)nc(Nc2ccccc2O)n1.
What is the InChIKey of 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is YVHHPQKCJBJYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-5-27(6-2)21-25-19(22-16-9-7-8-10-18(16)28)24-20(26-21)23-17-13-14(3)11-12-15(17)4/h7-13,28H,5-6H2,1-4H3,(H2,22,23,24,25,26).
What are the key properties of 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol?
2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 378.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 1237510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).