4,5-dimethoxy-2-phenylpyrimidine

C12H12N2O2 — CID 2767862

IUPAC4,5-dimethoxy-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1OC
InChIInChI=1S/C12H12N2O2/c1-15-10-8-13-11(14-12(10)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyWEZMXXMSIFOFDN-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.16
Rot. Bonds3

About 4,5-dimethoxy-2-phenylpyrimidine

4,5-dimethoxy-2-phenylpyrimidine (PubChem CID 2767862) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4,5-dimethoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4,5-dimethoxy-2-phenylpyrimidine
PubChem CID2767862
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4,5-dimethoxy-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1OC
InChIInChI=1S/C12H12N2O2/c1-15-10-8-13-11(14-12(10)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyWEZMXXMSIFOFDN-UHFFFAOYSA-N
XLogP2.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-phenylpyrimidine?
The IUPAC name of 4,5-dimethoxy-2-phenylpyrimidine (CID 2767862) is 4,5-dimethoxy-2-phenylpyrimidine.
What is the SMILES notation for 4,5-dimethoxy-2-phenylpyrimidine?
The canonical SMILES for 4,5-dimethoxy-2-phenylpyrimidine is COc1cnc(-c2ccccc2)nc1OC.
What is the InChIKey of 4,5-dimethoxy-2-phenylpyrimidine?
The InChIKey is WEZMXXMSIFOFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-15-10-8-13-11(14-12(10)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 4,5-dimethoxy-2-phenylpyrimidine?
4,5-dimethoxy-2-phenylpyrimidine has a molecular weight of 216.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-phenylpyrimidine is sourced from PubChem (CID 2767862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).