2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C24H28F2N6O — CID 59600349

IUPAC2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2c(C)cc(-c3cc(F)cc(F)c3)cc2C)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C24H28F2N6O/c1-15-10-18(19-12-20(25)14-21(26)13-19)11-16(2)22(15)29-23-27-17(3)28-24(30-23)32-6-4-31(5-7-32)8-9-33/h10-14,33H,4-9H2,1-3H3,(H,27,28,29,30)
InChIKeyGRHFCYRYKKPGON-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.60
Rot. Bonds6

About 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 59600349) has the molecular formula C24H28F2N6O and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID59600349
Molecular FormulaC24H28F2N6O
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2c(C)cc(-c3cc(F)cc(F)c3)cc2C)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C24H28F2N6O/c1-15-10-18(19-12-20(25)14-21(26)13-19)11-16(2)22(15)29-23-27-17(3)28-24(30-23)32-6-4-31(5-7-32)8-9-33/h10-14,33H,4-9H2,1-3H3,(H,27,28,29,30)
InChIKeyGRHFCYRYKKPGON-UHFFFAOYSA-N
XLogP3.60
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 59600349) is 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2c(C)cc(-c3cc(F)cc(F)c3)cc2C)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is GRHFCYRYKKPGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O/c1-15-10-18(19-12-20(25)14-21(26)13-19)11-16(2)22(15)29-23-27-17(3)28-24(30-23)32-6-4-31(5-7-32)8-9-33/h10-14,33H,4-9H2,1-3H3,(H,27,28,29,30).
What are the key properties of 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 454.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(3,5-difluorophenyl)-2,6-dimethylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59600349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).