4-(pyrimidin-4-ylamino)phenol

C10H9N3O — CID 115017243

IUPAC4-(pyrimidin-4-ylamino)phenol
SMILESOc1ccc(Nc2ccncn2)cc1
InChIInChI=1S/C10H9N3O/c14-9-3-1-8(2-4-9)13-10-5-6-11-7-12-10/h1-7,14H,(H,11,12,13)
InChIKeyNGYREPQQVYTBTI-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.93
Rot. Bonds2

About 4-(pyrimidin-4-ylamino)phenol

4-(pyrimidin-4-ylamino)phenol (PubChem CID 115017243) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-(pyrimidin-4-ylamino)phenol.

Molecular Properties

Compound Name4-(pyrimidin-4-ylamino)phenol
PubChem CID115017243
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4-(pyrimidin-4-ylamino)phenol
SMILESOc1ccc(Nc2ccncn2)cc1
InChIInChI=1S/C10H9N3O/c14-9-3-1-8(2-4-9)13-10-5-6-11-7-12-10/h1-7,14H,(H,11,12,13)
InChIKeyNGYREPQQVYTBTI-UHFFFAOYSA-N
XLogP1.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.93
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

1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223
N-methyl-4-(pyrimidin-4-ylamino)benzamide
CID 59225958
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885
N-(3,5-diphenylphenyl)pyrimidin-4-amine
CID 177073734
6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117085010
6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid
CID 68554703
N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117087947
2-methoxy-4-(pyrimidin-4-ylamino)benzoic acid
CID 107208955
2-N-pyrimidin-4-ylpyrimidine-2,5-diamine
CID 83618961
ethane;N-pyrazin-2-ylpyrimidin-4-amine
CID 145071809
4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane
CID 143939187

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-4-ylamino)phenol?
The IUPAC name of 4-(pyrimidin-4-ylamino)phenol (CID 115017243) is 4-(pyrimidin-4-ylamino)phenol.
What is the SMILES notation for 4-(pyrimidin-4-ylamino)phenol?
The canonical SMILES for 4-(pyrimidin-4-ylamino)phenol is Oc1ccc(Nc2ccncn2)cc1.
What is the InChIKey of 4-(pyrimidin-4-ylamino)phenol?
The InChIKey is NGYREPQQVYTBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-9-3-1-8(2-4-9)13-10-5-6-11-7-12-10/h1-7,14H,(H,11,12,13).
What are the key properties of 4-(pyrimidin-4-ylamino)phenol?
4-(pyrimidin-4-ylamino)phenol has a molecular weight of 187.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-4-ylamino)phenol is sourced from PubChem (CID 115017243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).