[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol

C23H21BrN6O — CID 71163222

IUPAC[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol
SMILESCc1cccc(Nc2nc(Nc3ccc(Br)cc3)nc(Nc3cccc(CO)c3)n2)c1
InChIInChI=1S/C23H21BrN6O/c1-15-4-2-6-19(12-15)26-22-28-21(25-18-10-8-17(24)9-11-18)29-23(30-22)27-20-7-3-5-16(13-20)14-31/h2-13,31H,14H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyUXUBHSBHRJPPHE-UHFFFAOYSA-N
MW477.37 g/mol
LogP5.67
Rot. Bonds7

About [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol

[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol (PubChem CID 71163222) has the molecular formula C23H21BrN6O and a molecular weight of 477.37 g/mol. Its IUPAC name is [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol
PubChem CID71163222
Molecular FormulaC23H21BrN6O
Molecular Weight477.37 g/mol
Exact Mass476.10
IUPAC Name[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol
SMILESCc1cccc(Nc2nc(Nc3ccc(Br)cc3)nc(Nc3cccc(CO)c3)n2)c1
InChIInChI=1S/C23H21BrN6O/c1-15-4-2-6-19(12-15)26-22-28-21(25-18-10-8-17(24)9-11-18)29-23(30-22)27-20-7-3-5-16(13-20)14-31/h2-13,31H,14H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyUXUBHSBHRJPPHE-UHFFFAOYSA-N
XLogP5.67
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.37
LogP ≤ 55.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol with MolForge

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Related Compounds

N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090749
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
1-[4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-1-one
CID 143609419
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71095114
[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749143
2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 14064847
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The IUPAC name of [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol (CID 71163222) is [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol is Cc1cccc(Nc2nc(Nc3ccc(Br)cc3)nc(Nc3cccc(CO)c3)n2)c1.
What is the InChIKey of [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The InChIKey is UXUBHSBHRJPPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN6O/c1-15-4-2-6-19(12-15)26-22-28-21(25-18-10-8-17(24)9-11-18)29-23(30-22)27-20-7-3-5-16(13-20)14-31/h2-13,31H,14H2,1H3,(H3,25,26,27,28,29,30).
What are the key properties of [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol?
[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol has a molecular weight of 477.37 g/mol, XLogP of 5.67, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 71163222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).