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

C15H12N4O — CID 14722194

IUPAC2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol
SMILESOc1ccccc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C15H12N4O/c20-14-6-2-1-5-13(14)19-15-17-9-7-12(18-15)11-4-3-8-16-10-11/h1-10,20H,(H,17,18,19)
InChIKeyGATLVWXJLVQTDJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.99
Rot. Bonds3

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

2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol (PubChem CID 14722194) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol.

Molecular Properties

Compound Name2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol
PubChem CID14722194
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol
SMILESOc1ccccc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C15H12N4O/c20-14-6-2-1-5-13(14)19-15-17-9-7-12(18-15)11-4-3-8-16-10-11/h1-10,20H,(H,17,18,19)
InChIKeyGATLVWXJLVQTDJ-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': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol?
The IUPAC name of 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol (CID 14722194) is 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol.
What is the SMILES notation for 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol?
The canonical SMILES for 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol is Oc1ccccc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol?
The InChIKey is GATLVWXJLVQTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-14-6-2-1-5-13(14)19-15-17-9-7-12(18-15)11-4-3-8-16-10-11/h1-10,20H,(H,17,18,19).
What are the key properties of 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol?
2-[(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 2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenol is sourced from PubChem (CID 14722194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).