[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone

C25H30N6O2 — CID 57401871

IUPAC[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESCOc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C25H30N6O2/c1-16-14-17(2)21(18(3)15-16)27-24-28-23(29-25(30-24)33-4)26-20-10-12-31(13-11-20)22(32)19-8-6-5-7-9-19/h5-9,14-15,20H,10-13H2,1-4H3,(H2,26,27,28,29,30)
InChIKeyLWDUREMNEXNWIC-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.27
Rot. Bonds6

About [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone

[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone (PubChem CID 57401871) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
PubChem CID57401871
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESCOc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C25H30N6O2/c1-16-14-17(2)21(18(3)15-16)27-24-28-23(29-25(30-24)33-4)26-20-10-12-31(13-11-20)22(32)19-8-6-5-7-9-19/h5-9,14-15,20H,10-13H2,1-4H3,(H2,26,27,28,29,30)
InChIKeyLWDUREMNEXNWIC-UHFFFAOYSA-N
XLogP4.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone (CID 57401871) is [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone is COc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is LWDUREMNEXNWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16-14-17(2)21(18(3)15-16)27-24-28-23(29-25(30-24)33-4)26-20-10-12-31(13-11-20)22(32)19-8-6-5-7-9-19/h5-9,14-15,20H,10-13H2,1-4H3,(H2,26,27,28,29,30).
What are the key properties of [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 446.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 57401871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).