4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine

C16H13N3O — CID 2810255

IUPAC4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine
SMILESCOc1ccc(-c2ccnc(-c3ccncc3)n2)cc1
InChIInChI=1S/C16H13N3O/c1-20-14-4-2-12(3-5-14)15-8-11-18-16(19-15)13-6-9-17-10-7-13/h2-11H,1H3
InChIKeyMLXHJVVJPHTYMP-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.21
Rot. Bonds3

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

4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine (PubChem CID 2810255) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine
PubChem CID2810255
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine
SMILESCOc1ccc(-c2ccnc(-c3ccncc3)n2)cc1
InChIInChI=1S/C16H13N3O/c1-20-14-4-2-12(3-5-14)15-8-11-18-16(19-15)13-6-9-17-10-7-13/h2-11H,1H3
InChIKeyMLXHJVVJPHTYMP-UHFFFAOYSA-N
XLogP3.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine (CID 2810255) is 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine is COc1ccc(-c2ccnc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The InChIKey is MLXHJVVJPHTYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-20-14-4-2-12(3-5-14)15-8-11-18-16(19-15)13-6-9-17-10-7-13/h2-11H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine has a molecular weight of 263.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 2810255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).