(4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone

C25H31N7O2 — CID 57403584

IUPAC(4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C25H31N7O2/c1-15-13-16(2)21(17(3)14-15)28-25-30-23(26-4)29-24(31-25)27-19-9-11-32(12-10-19)22(34)18-5-7-20(33)8-6-18/h5-8,13-14,19,33H,9-12H2,1-4H3,(H3,26,27,28,29,30,31)
InChIKeyXEJLEXKPUZJZRF-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.00
Rot. Bonds6

About (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone

(4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 57403584) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID57403584
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name(4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C25H31N7O2/c1-15-13-16(2)21(17(3)14-15)28-25-30-23(26-4)29-24(31-25)27-19-9-11-32(12-10-19)22(34)18-5-7-20(33)8-6-18/h5-8,13-14,19,33H,9-12H2,1-4H3,(H3,26,27,28,29,30,31)
InChIKeyXEJLEXKPUZJZRF-UHFFFAOYSA-N
XLogP4.00
TPSA115.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone (CID 57403584) is (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone is CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc(O)cc3)CC2)n1.
What is the InChIKey of (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is XEJLEXKPUZJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-15-13-16(2)21(17(3)14-15)28-25-30-23(26-4)29-24(31-25)27-19-9-11-32(12-10-19)22(34)18-5-7-20(33)8-6-18/h5-8,13-14,19,33H,9-12H2,1-4H3,(H3,26,27,28,29,30,31).
What are the key properties of (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone?
(4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 461.57 g/mol, XLogP of 4.00, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 57403584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).