3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol

C17H18N6O — CID 123576120

IUPAC3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol
SMILESCNc1cccc(Nc2nc(C)nc(Nc3cccc(O)c3)n2)c1
InChIInChI=1S/C17H18N6O/c1-11-19-16(21-13-6-3-5-12(9-13)18-2)23-17(20-11)22-14-7-4-8-15(24)10-14/h3-10,18,24H,1-2H3,(H2,19,20,21,22,23)
InChIKeySSWRNMPLEIDEMU-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.41
Rot. Bonds5

About 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol

3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 123576120) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol
PubChem CID123576120
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol
SMILESCNc1cccc(Nc2nc(C)nc(Nc3cccc(O)c3)n2)c1
InChIInChI=1S/C17H18N6O/c1-11-19-16(21-13-6-3-5-12(9-13)18-2)23-17(20-11)22-14-7-4-8-15(24)10-14/h3-10,18,24H,1-2H3,(H2,19,20,21,22,23)
InChIKeySSWRNMPLEIDEMU-UHFFFAOYSA-N
XLogP3.41
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol with MolForge

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Related Compounds

3-[[4-[3-[[4,6-bis(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]anilino]-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]phenol
CID 159987030
3-(2,6-dimethylanilino)phenol
CID 53407688
3-[[4,6-bis(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;bis(2-methylpropane);phenol
CID 165088934
3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol
CID 4125292
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
CID 90254949
3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289
4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 143193149
3,5-bis[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid
CID 21351802
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
3-(pyridin-4-ylamino)phenol
CID 13098457
3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine
CID 116974888

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol (CID 123576120) is 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol is CNc1cccc(Nc2nc(C)nc(Nc3cccc(O)c3)n2)c1.
What is the InChIKey of 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is SSWRNMPLEIDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11-19-16(21-13-6-3-5-12(9-13)18-2)23-17(20-11)22-14-7-4-8-15(24)10-14/h3-10,18,24H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol?
3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 322.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 123576120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).