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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Related Compounds

5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine
CID 123472594
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine
CID 130459243
4-[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyrimidin-5-yl]-3-methylphenol
CID 130459327
5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine
CID 142215847
7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133298817
1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
CID 130442517
4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442551
4-methoxy-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 130557587
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 50984185
10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride
CID 22178152

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).