4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine

C18H16N2O2 — CID 71460890

IUPAC4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine
SMILESCOc1cccc(Oc2cc(C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H16N2O2/c1-13-11-17(22-16-10-6-9-15(12-16)21-2)20-18(19-13)14-7-4-3-5-8-14/h3-12H,1-2H3
InChIKeyHZWISPZEEHDUMF-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.25
Rot. Bonds4

About 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine

4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine (PubChem CID 71460890) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine
PubChem CID71460890
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine
SMILESCOc1cccc(Oc2cc(C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H16N2O2/c1-13-11-17(22-16-10-6-9-15(12-16)21-2)20-18(19-13)14-7-4-3-5-8-14/h3-12H,1-2H3
InChIKeyHZWISPZEEHDUMF-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 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine?
The IUPAC name of 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine (CID 71460890) is 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine?
The canonical SMILES for 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine is COc1cccc(Oc2cc(C)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine?
The InChIKey is HZWISPZEEHDUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-11-17(22-16-10-6-9-15(12-16)21-2)20-18(19-13)14-7-4-3-5-8-14/h3-12H,1-2H3.
What are the key properties of 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine?
4-(3-methoxyphenoxy)-6-methyl-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 4-(3-methoxyphenoxy)-6-methyl-2-phenylpyrimidine is sourced from PubChem (CID 71460890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).