4-methoxy-2-phenylpyrimidine

C11H10N2O — CID 817446

IUPAC4-methoxy-2-phenylpyrimidine
SMILESCOc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2O/c1-14-10-7-8-12-11(13-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeySDWDRRVMYUWAEY-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.15
Rot. Bonds2

About 4-methoxy-2-phenylpyrimidine

4-methoxy-2-phenylpyrimidine (PubChem CID 817446) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4-methoxy-2-phenylpyrimidine
PubChem CID817446
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-methoxy-2-phenylpyrimidine
SMILESCOc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2O/c1-14-10-7-8-12-11(13-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeySDWDRRVMYUWAEY-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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenylpyrimidine?
The IUPAC name of 4-methoxy-2-phenylpyrimidine (CID 817446) is 4-methoxy-2-phenylpyrimidine.
What is the SMILES notation for 4-methoxy-2-phenylpyrimidine?
The canonical SMILES for 4-methoxy-2-phenylpyrimidine is COc1ccnc(-c2ccccc2)n1.
What is the InChIKey of 4-methoxy-2-phenylpyrimidine?
The InChIKey is SDWDRRVMYUWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-14-10-7-8-12-11(13-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 4-methoxy-2-phenylpyrimidine?
4-methoxy-2-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 4-methoxy-2-phenylpyrimidine is sourced from PubChem (CID 817446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).