4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol

C19H13N5O — CID 4123570

IUPAC4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol
SMILESOc1ccc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H13N5O/c25-15-3-1-14(2-4-15)19-23-11-16(17-12-21-9-10-22-17)18(24-19)13-5-7-20-8-6-13/h1-12,25H
InChIKeyXLGYKLSEUOVILV-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.37
Rot. Bonds3

About 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol

4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol (PubChem CID 4123570) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol
PubChem CID4123570
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol
SMILESOc1ccc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H13N5O/c25-15-3-1-14(2-4-15)19-23-11-16(17-12-21-9-10-22-17)18(24-19)13-5-7-20-8-6-13/h1-12,25H
InChIKeyXLGYKLSEUOVILV-UHFFFAOYSA-N
XLogP3.37
TPSA84.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol?
The IUPAC name of 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol (CID 4123570) is 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol is Oc1ccc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol?
The InChIKey is XLGYKLSEUOVILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c25-15-3-1-14(2-4-15)19-23-11-16(17-12-21-9-10-22-17)18(24-19)13-5-7-20-8-6-13/h1-12,25H.
What are the key properties of 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol?
4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol has a molecular weight of 327.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyrazin-2-yl-4-pyridin-4-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 4123570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).