2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C22H27N7O2 — CID 58309927

IUPAC2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(Oc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cn2)cc1
InChIInChI=1S/C22H27N7O2/c1-16-3-6-19(7-4-16)31-20-8-5-18(15-23-20)26-21-24-17(2)25-22(27-21)29-11-9-28(10-12-29)13-14-30/h3-8,15,30H,9-14H2,1-2H3,(H,24,25,26,27)
InChIKeyOCCFENUMELHZNU-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.53
Rot. Bonds7

About 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 58309927) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID58309927
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(Oc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cn2)cc1
InChIInChI=1S/C22H27N7O2/c1-16-3-6-19(7-4-16)31-20-8-5-18(15-23-20)26-21-24-17(2)25-22(27-21)29-11-9-28(10-12-29)13-14-30/h3-8,15,30H,9-14H2,1-2H3,(H,24,25,26,27)
InChIKeyOCCFENUMELHZNU-UHFFFAOYSA-N
XLogP2.53
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 58309927) is 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1ccc(Oc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cn2)cc1.
What is the InChIKey of 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is OCCFENUMELHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-16-3-6-19(7-4-16)31-20-8-5-18(15-23-20)26-21-24-17(2)25-22(27-21)29-11-9-28(10-12-29)13-14-30/h3-8,15,30H,9-14H2,1-2H3,(H,24,25,26,27).
What are the key properties of 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 421.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 58309927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).