2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol

C24H24N6O3 — CID 58059753

IUPAC2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol
SMILESCN(c1nc(N(C)c2ccccc2O)nc(N(C)c2ccccc2O)n1)c1ccccc1O
InChIInChI=1S/C24H24N6O3/c1-28(16-10-4-7-13-19(16)31)22-25-23(29(2)17-11-5-8-14-20(17)32)27-24(26-22)30(3)18-12-6-9-15-21(18)33/h4-15,31-33H,1-3H3
InChIKeyKKOZEMIEIGTVOO-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.29
Rot. Bonds6

About 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol

2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol (PubChem CID 58059753) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol.

Molecular Properties

Compound Name2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol
PubChem CID58059753
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol
SMILESCN(c1nc(N(C)c2ccccc2O)nc(N(C)c2ccccc2O)n1)c1ccccc1O
InChIInChI=1S/C24H24N6O3/c1-28(16-10-4-7-13-19(16)31)22-25-23(29(2)17-11-5-8-14-20(17)32)27-24(26-22)30(3)18-12-6-9-15-21(18)33/h4-15,31-33H,1-3H3
InChIKeyKKOZEMIEIGTVOO-UHFFFAOYSA-N
XLogP4.29
TPSA109.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol with MolForge

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Related Compounds

2-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2419802
2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol
CID 23648024
2-{[4-(Diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino}phenol
CID 1237510
p,p',p''-(1,3,5-Triazine-2,4,6-triyltriimino)trisphenol
CID 9909071
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]phenol
CID 615845
2-[[5-(4-fluoro-N-methylanilino)-4-methyl-1,2,4-triazol-3-yl]-methylamino]phenol
CID 58324666
2-[Bis(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenol
CID 21820763
2-((4-Chloro-1,3,5-triazin-2-yl)amino)phenol
CID 129833666
2-N,4-N,6-N-tris(4-deuteriooxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 178340843
4-Arsenoso-2-((4,6-diamino-s-triazin-2-yl)amino)phenol
CID 16206864
2-(5'-Arsono-2'-hydroxyanilino)-4,6-diamino-s-triazine sesquisodium salt
CID 135564241
2-{[4-(Tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino}phenol
CID 830853

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol?
The IUPAC name of 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol (CID 58059753) is 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol.
What is the SMILES notation for 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol?
The canonical SMILES for 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol is CN(c1nc(N(C)c2ccccc2O)nc(N(C)c2ccccc2O)n1)c1ccccc1O.
What is the InChIKey of 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol?
The InChIKey is KKOZEMIEIGTVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-28(16-10-4-7-13-19(16)31)22-25-23(29(2)17-11-5-8-14-20(17)32)27-24(26-22)30(3)18-12-6-9-15-21(18)33/h4-15,31-33H,1-3H3.
What are the key properties of 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol?
2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol has a molecular weight of 444.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol is sourced from PubChem (CID 58059753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).