5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine

C17H21N3O — CID 118448880

IUPAC5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccc(-c2c(C)ncnc2N2CCCC2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-12-10-14(21-3)6-7-15(12)16-13(2)18-11-19-17(16)20-8-4-5-9-20/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyJSNSTYWWEYWXGX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.37
Rot. Bonds3

About 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine

5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 118448880) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID118448880
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccc(-c2c(C)ncnc2N2CCCC2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-12-10-14(21-3)6-7-15(12)16-13(2)18-11-19-17(16)20-8-4-5-9-20/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyJSNSTYWWEYWXGX-UHFFFAOYSA-N
XLogP3.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine (CID 118448880) is 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine is COc1ccc(-c2c(C)ncnc2N2CCCC2)c(C)c1.
What is the InChIKey of 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is JSNSTYWWEYWXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-14(21-3)6-7-15(12)16-13(2)18-11-19-17(16)20-8-4-5-9-20/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine?
5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 283.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 118448880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).