2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol

C19H21N5O4 — CID 23535780

IUPAC2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1cc(Nc2ncnc(Nc3ccc(C)c(O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H21N5O4/c1-11-5-6-12(7-14(11)25)22-18-20-10-21-19(24-18)23-13-8-15(26-2)17(28-4)16(9-13)27-3/h5-10,25H,1-4H3,(H2,20,21,22,23,24)
InChIKeyLGSJBDPGMBNTQC-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.40
Rot. Bonds7

About 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol

2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 23535780) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID23535780
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1cc(Nc2ncnc(Nc3ccc(C)c(O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H21N5O4/c1-11-5-6-12(7-14(11)25)22-18-20-10-21-19(24-18)23-13-8-15(26-2)17(28-4)16(9-13)27-3/h5-10,25H,1-4H3,(H2,20,21,22,23,24)
InChIKeyLGSJBDPGMBNTQC-UHFFFAOYSA-N
XLogP3.40
TPSA110.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535781
3-[[4-(3-hydroxy-4,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 142056685
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536686
4-N-[1-(phosphanylmethyl)indol-5-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 142056646
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
3-[[4-(3,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 23535836
5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol
CID 23536133
2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536645
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol (CID 23535780) is 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol is COc1cc(Nc2ncnc(Nc3ccc(C)c(O)c3)n2)cc(OC)c1OC.
What is the InChIKey of 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is LGSJBDPGMBNTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-11-5-6-12(7-14(11)25)22-18-20-10-21-19(24-18)23-13-8-15(26-2)17(28-4)16(9-13)27-3/h5-10,25H,1-4H3,(H2,20,21,22,23,24).
What are the key properties of 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol?
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 383.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 23535780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).