4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol

C12H13N3O — CID 82061104

IUPAC4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol
SMILESCc1nc(Nc2ccc(O)cc2)ccc1N
InChIInChI=1S/C12H13N3O/c1-8-11(13)6-7-12(14-8)15-9-2-4-10(16)5-3-9/h2-7,16H,13H2,1H3,(H,14,15)
InChIKeyIAOHUKDLCWUEOJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.42
Rot. Bonds2

About 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol

4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol (PubChem CID 82061104) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol.

Molecular Properties

Compound Name4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol
PubChem CID82061104
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol
SMILESCc1nc(Nc2ccc(O)cc2)ccc1N
InChIInChI=1S/C12H13N3O/c1-8-11(13)6-7-12(14-8)15-9-2-4-10(16)5-3-9/h2-7,16H,13H2,1H3,(H,14,15)
InChIKeyIAOHUKDLCWUEOJ-UHFFFAOYSA-N
XLogP2.42
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
CID 79020665
6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
CID 115147540
4-[(3-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061053
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol
CID 155563602
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine
CID 107335763
N-(5-amino-6-methyl-2-pyridinyl)propanamide
CID 82330911
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703
6-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 79021158
2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine
CID 107606139
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid
CID 13227966

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol?
The IUPAC name of 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol (CID 82061104) is 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol.
What is the SMILES notation for 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol?
The canonical SMILES for 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol is Cc1nc(Nc2ccc(O)cc2)ccc1N.
What is the InChIKey of 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol?
The InChIKey is IAOHUKDLCWUEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-11(13)6-7-12(14-8)15-9-2-4-10(16)5-3-9/h2-7,16H,13H2,1H3,(H,14,15).
What are the key properties of 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol?
4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol has a molecular weight of 215.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol is sourced from PubChem (CID 82061104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).