4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine

C19H18N2O2 — CID 1472558

IUPAC4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1C
InChIInChI=1S/C19H18N2O2/c1-13-8-7-11-16(14(13)2)23-19-17(22-3)12-20-18(21-19)15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKeyOXJLAXHPXIEUAL-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.56
Rot. Bonds4

About 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine

4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine (PubChem CID 1472558) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine
PubChem CID1472558
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1C
InChIInChI=1S/C19H18N2O2/c1-13-8-7-11-16(14(13)2)23-19-17(22-3)12-20-18(21-19)15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKeyOXJLAXHPXIEUAL-UHFFFAOYSA-N
XLogP4.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine?
The IUPAC name of 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine (CID 1472558) is 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine is COc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine?
The InChIKey is OXJLAXHPXIEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-8-7-11-16(14(13)2)23-19-17(22-3)12-20-18(21-19)15-9-5-4-6-10-15/h4-12H,1-3H3.
What are the key properties of 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine?
4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine has a molecular weight of 306.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-5-methoxy-2-phenylpyrimidine is sourced from PubChem (CID 1472558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).