5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine

C18H16N2O2 — CID 1472565

IUPAC5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1
InChIInChI=1S/C18H16N2O2/c1-13-7-6-10-15(11-13)22-18-16(21-2)12-19-17(20-18)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyCXSJKNNEGXLEHC-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.25
Rot. Bonds4

About 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine

5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine (PubChem CID 1472565) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
PubChem CID1472565
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1
InChIInChI=1S/C18H16N2O2/c1-13-7-6-10-15(11-13)22-18-16(21-2)12-19-17(20-18)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyCXSJKNNEGXLEHC-UHFFFAOYSA-N
XLogP4.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine?
The IUPAC name of 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine (CID 1472565) is 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine.
What is the SMILES notation for 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine?
The canonical SMILES for 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine is COc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1.
What is the InChIKey of 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine?
The InChIKey is CXSJKNNEGXLEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-7-6-10-15(11-13)22-18-16(21-2)12-19-17(20-18)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine?
5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine has a molecular weight of 292.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine is sourced from PubChem (CID 1472565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).