4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol

C12H13N3O — CID 741703

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
SMILESCc1cc(C)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C12H13N3O/c1-8-7-9(2)14-12(13-8)15-10-3-5-11(16)6-4-10/h3-7,16H,1-2H3,(H,13,14,15)
InChIKeyNUWWAHKTVOVTNC-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.54
Rot. Bonds2

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol

4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol (PubChem CID 741703) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
PubChem CID741703
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
SMILESCc1cc(C)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C12H13N3O/c1-8-7-9(2)14-12(13-8)15-10-3-5-11(16)6-4-10/h3-7,16H,1-2H3,(H,13,14,15)
InChIKeyNUWWAHKTVOVTNC-UHFFFAOYSA-N
XLogP2.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
CID 108796510
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide
CID 168650971
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine
CID 108777589
1-chloro-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]propan-2-ol
CID 168636994
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine
CID 168602108
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
5-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 146542596

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol (CID 741703) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol is Cc1cc(C)nc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol?
The InChIKey is NUWWAHKTVOVTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-7-9(2)14-12(13-8)15-10-3-5-11(16)6-4-10/h3-7,16H,1-2H3,(H,13,14,15).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol?
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol has a molecular weight of 215.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol is sourced from PubChem (CID 741703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).