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

C23H32N8O2 — CID 91341896

IUPAC2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1cc(C)c(NCc2cnc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)o2)c(C)c1
InChIInChI=1S/C23H32N8O2/c1-15-11-16(2)20(17(3)12-15)24-13-19-14-25-23(33-19)29-21-26-18(4)27-22(28-21)31-7-5-30(6-8-31)9-10-32/h11-12,14,24,32H,5-10,13H2,1-4H3,(H,25,26,27,28,29)
InChIKeyHILLPTQYUGHASO-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.56
Rot. Bonds8

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

2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 91341896) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID91341896
Molecular FormulaC23H32N8O2
Molecular Weight452.56 g/mol
Exact Mass452.26
IUPAC Name2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1cc(C)c(NCc2cnc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)o2)c(C)c1
InChIInChI=1S/C23H32N8O2/c1-15-11-16(2)20(17(3)12-15)24-13-19-14-25-23(33-19)29-21-26-18(4)27-22(28-21)31-7-5-30(6-8-31)9-10-32/h11-12,14,24,32H,5-10,13H2,1-4H3,(H,25,26,27,28,29)
InChIKeyHILLPTQYUGHASO-UHFFFAOYSA-N
XLogP2.56
TPSA115.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600532
[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3,5-dimethylphenyl]-(6-methyl-3-pyridinyl)methanone
CID 58309920
2-[4-[4-methyl-6-[[5-(4-methylphenoxy)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600463
5-[(2-chloro-6-methylanilino)methyl]-N-[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-oxazol-2-amine
CID 91412739
5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
CID 90819215
4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
CID 10496614
4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-2-one
CID 91272996
2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600478
2-[4-[4-[4-(1,3-benzodioxol-5-yloxy)anilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600302
2-[4-[4-[4-(4-fluorophenyl)sulfanylanilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600465
2-[4-[4-methyl-6-[4-[4-(trifluoromethyl)phenyl]anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600474
2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 91341896) is 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1cc(C)c(NCc2cnc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)o2)c(C)c1.
What is the InChIKey of 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is HILLPTQYUGHASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-15-11-16(2)20(17(3)12-15)24-13-19-14-25-23(33-19)29-21-26-18(4)27-22(28-21)31-7-5-30(6-8-31)9-10-32/h11-12,14,24,32H,5-10,13H2,1-4H3,(H,25,26,27,28,29).
What are the key properties of 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 452.56 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 91341896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).