4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol

C15H12N4O — CID 14347190

IUPAC4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol
SMILESOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H12N4O/c20-13-5-3-12(4-6-13)18-15-17-9-7-14(19-15)11-2-1-8-16-10-11/h1-10,20H,(H,17,18,19)
InChIKeyNQKGYDWIKNFUJY-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.99
Rot. Bonds3

About 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol

4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol (PubChem CID 14347190) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol
PubChem CID14347190
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol
SMILESOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H12N4O/c20-13-5-3-12(4-6-13)18-15-17-9-7-14(19-15)11-2-1-8-16-10-11/h1-10,20H,(H,17,18,19)
InChIKeyNQKGYDWIKNFUJY-UHFFFAOYSA-N
XLogP2.99
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol?
The IUPAC name of 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol (CID 14347190) is 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol is Oc1ccc(Nc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol?
The InChIKey is NQKGYDWIKNFUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-13-5-3-12(4-6-13)18-15-17-9-7-14(19-15)11-2-1-8-16-10-11/h1-10,20H,(H,17,18,19).
What are the key properties of 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol?
4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol has a molecular weight of 264.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol is sourced from PubChem (CID 14347190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).