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

C20H23N5O4 — CID 23535781

IUPAC2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1cc(N(C)c2ncnc(Nc3ccc(C)c(O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C20H23N5O4/c1-12-6-7-13(8-15(12)26)23-19-21-11-22-20(24-19)25(2)14-9-16(27-3)18(29-5)17(10-14)28-4/h6-11,26H,1-5H3,(H,21,22,23,24)
InChIKeyWOSZVCZCFNIYFJ-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.42
Rot. Bonds7

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

2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 23535781) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID23535781
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1cc(N(C)c2ncnc(Nc3ccc(C)c(O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C20H23N5O4/c1-12-6-7-13(8-15(12)26)23-19-21-11-22-20(24-19)25(2)14-9-16(27-3)18(29-5)17(10-14)28-4/h6-11,26H,1-5H3,(H,21,22,23,24)
InChIKeyWOSZVCZCFNIYFJ-UHFFFAOYSA-N
XLogP3.42
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
methyl 4-[[4-(3,4-dimethoxyanilino)-1,3,5-triazin-2-yl]-methylamino]benzoate
CID 23536188
2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536489
2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 90969454
2-N-(4-chlorophenyl)-2-N-propyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536613
4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23536028
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide
CID 10296889
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-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 23536418
[5-[[4-(3-chloro-4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]amino]-2,3-dihydroxyphenyl]oxidanium
CID 142056927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol (CID 23535781) is 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol is COc1cc(N(C)c2ncnc(Nc3ccc(C)c(O)c3)n2)cc(OC)c1OC.
What is the InChIKey of 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is WOSZVCZCFNIYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-12-6-7-13(8-15(12)26)23-19-21-11-22-20(24-19)25(2)14-9-16(27-3)18(29-5)17(10-14)28-4/h6-11,26H,1-5H3,(H,21,22,23,24).
What are the key properties of 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol?
2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 397.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 23535781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).