4-methyl-6-phenoxy-2-phenylpyrimidine

C17H14N2O — CID 796212

IUPAC4-methyl-6-phenoxy-2-phenylpyrimidine
SMILESCc1cc(Oc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O/c1-13-12-16(20-15-10-6-3-7-11-15)19-17(18-13)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyDKLXCZQFRIHSAE-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.24
Rot. Bonds3

About 4-methyl-6-phenoxy-2-phenylpyrimidine

4-methyl-6-phenoxy-2-phenylpyrimidine (PubChem CID 796212) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-6-phenoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-phenoxy-2-phenylpyrimidine
PubChem CID796212
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-methyl-6-phenoxy-2-phenylpyrimidine
SMILESCc1cc(Oc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O/c1-13-12-16(20-15-10-6-3-7-11-15)19-17(18-13)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyDKLXCZQFRIHSAE-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenoxy-2-phenylpyrimidine?
The IUPAC name of 4-methyl-6-phenoxy-2-phenylpyrimidine (CID 796212) is 4-methyl-6-phenoxy-2-phenylpyrimidine.
What is the SMILES notation for 4-methyl-6-phenoxy-2-phenylpyrimidine?
The canonical SMILES for 4-methyl-6-phenoxy-2-phenylpyrimidine is Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-6-phenoxy-2-phenylpyrimidine?
The InChIKey is DKLXCZQFRIHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-12-16(20-15-10-6-3-7-11-15)19-17(18-13)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 4-methyl-6-phenoxy-2-phenylpyrimidine?
4-methyl-6-phenoxy-2-phenylpyrimidine has a molecular weight of 262.31 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenoxy-2-phenylpyrimidine is sourced from PubChem (CID 796212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).