2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine

C15H12N4O — CID 174393307

IUPAC2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine
SMILESCOc1ccccc1-c1nccc(-c2cnccn2)n1
InChIInChI=1S/C15H12N4O/c1-20-14-5-3-2-4-11(14)15-18-7-6-12(19-15)13-10-16-8-9-17-13/h2-10H,1H3
InChIKeyZIZRBVFAIHTPMW-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine

2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine (PubChem CID 174393307) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine
PubChem CID174393307
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine
SMILESCOc1ccccc1-c1nccc(-c2cnccn2)n1
InChIInChI=1S/C15H12N4O/c1-20-14-5-3-2-4-11(14)15-18-7-6-12(19-15)13-10-16-8-9-17-13/h2-10H,1H3
InChIKeyZIZRBVFAIHTPMW-UHFFFAOYSA-N
XLogP2.61
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine?
The IUPAC name of 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine (CID 174393307) is 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine?
The canonical SMILES for 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine is COc1ccccc1-c1nccc(-c2cnccn2)n1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine?
The InChIKey is ZIZRBVFAIHTPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-14-5-3-2-4-11(14)15-18-7-6-12(19-15)13-10-16-8-9-17-13/h2-10H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine?
2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine has a molecular weight of 264.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 174393307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).