oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate

C23H26N6O6 — CID 23536804

IUPACoxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate
SMILESCOc1cc(Nc2ncnc(Nc3cccc(NC(=O)OC4CCOC4)c3)n2)cc(OC)c1OC
InChIInChI=1S/C23H26N6O6/c1-31-18-10-16(11-19(32-2)20(18)33-3)27-22-25-13-24-21(29-22)26-14-5-4-6-15(9-14)28-23(30)35-17-7-8-34-12-17/h4-6,9-11,13,17H,7-8,12H2,1-3H3,(H,28,30)(H2,24,25,26,27,29)
InChIKeyFIUKEKTYGZFPMM-UHFFFAOYSA-N
MW482.50 g/mol
LogP3.72
Rot. Bonds9

About oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate

oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate (PubChem CID 23536804) has the molecular formula C23H26N6O6 and a molecular weight of 482.50 g/mol. Its IUPAC name is oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate
PubChem CID23536804
Molecular FormulaC23H26N6O6
Molecular Weight482.50 g/mol
Exact Mass482.19
IUPAC Nameoxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate
SMILESCOc1cc(Nc2ncnc(Nc3cccc(NC(=O)OC4CCOC4)c3)n2)cc(OC)c1OC
InChIInChI=1S/C23H26N6O6/c1-31-18-10-16(11-19(32-2)20(18)33-3)27-22-25-13-24-21(29-22)26-14-5-4-6-15(9-14)28-23(30)35-17-7-8-34-12-17/h4-6,9-11,13,17H,7-8,12H2,1-3H3,(H,28,30)(H2,24,25,26,27,29)
InChIKeyFIUKEKTYGZFPMM-UHFFFAOYSA-N
XLogP3.72
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate with MolForge

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Related Compounds

3-[[4-(3-hydroxy-4,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 142056685
2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536734
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
CID 143293362
oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate
CID 155661853
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 22058490
N-[3-[[2-[4-chloro-3-[(3R)-oxolan-3-yl]oxyanilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 59174407
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91572160

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate?
The IUPAC name of oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate (CID 23536804) is oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate is COc1cc(Nc2ncnc(Nc3cccc(NC(=O)OC4CCOC4)c3)n2)cc(OC)c1OC.
What is the InChIKey of oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate?
The InChIKey is FIUKEKTYGZFPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O6/c1-31-18-10-16(11-19(32-2)20(18)33-3)27-22-25-13-24-21(29-22)26-14-5-4-6-15(9-14)28-23(30)35-17-7-8-34-12-17/h4-6,9-11,13,17H,7-8,12H2,1-3H3,(H,28,30)(H2,24,25,26,27,29).
What are the key properties of oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate?
oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate has a molecular weight of 482.50 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 23536804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).