5-methoxy-4-phenylpyrimidine

C11H10N2O — CID 13172808

IUPAC5-methoxy-4-phenylpyrimidine
SMILESCOc1cncnc1-c1ccccc1
InChIInChI=1S/C11H10N2O/c1-14-10-7-12-8-13-11(10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyTWJVKNYUCBTYRY-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.15
Rot. Bonds2

About 5-methoxy-4-phenylpyrimidine

5-methoxy-4-phenylpyrimidine (PubChem CID 13172808) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-methoxy-4-phenylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-phenylpyrimidine
PubChem CID13172808
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name5-methoxy-4-phenylpyrimidine
SMILESCOc1cncnc1-c1ccccc1
InChIInChI=1S/C11H10N2O/c1-14-10-7-12-8-13-11(10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyTWJVKNYUCBTYRY-UHFFFAOYSA-N
XLogP2.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-4-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-phenylpyrimidine?
The IUPAC name of 5-methoxy-4-phenylpyrimidine (CID 13172808) is 5-methoxy-4-phenylpyrimidine.
What is the SMILES notation for 5-methoxy-4-phenylpyrimidine?
The canonical SMILES for 5-methoxy-4-phenylpyrimidine is COc1cncnc1-c1ccccc1.
What is the InChIKey of 5-methoxy-4-phenylpyrimidine?
The InChIKey is TWJVKNYUCBTYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-14-10-7-12-8-13-11(10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 5-methoxy-4-phenylpyrimidine?
5-methoxy-4-phenylpyrimidine has a molecular weight of 186.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-phenylpyrimidine is sourced from PubChem (CID 13172808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).