2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine

C17H21N3O — CID 115069875

IUPAC2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
SMILESCOc1ccccc1-c1nc(C)c(C2CCCN2)c(C)n1
InChIInChI=1S/C17H21N3O/c1-11-16(14-8-6-10-18-14)12(2)20-17(19-11)13-7-4-5-9-15(13)21-3/h4-5,7,9,14,18H,6,8,10H2,1-3H3
InChIKeyDWUOYNJWEWUETQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine

2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine (PubChem CID 115069875) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
PubChem CID115069875
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
SMILESCOc1ccccc1-c1nc(C)c(C2CCCN2)c(C)n1
InChIInChI=1S/C17H21N3O/c1-11-16(14-8-6-10-18-14)12(2)20-17(19-11)13-7-4-5-9-15(13)21-3/h4-5,7,9,14,18H,6,8,10H2,1-3H3
InChIKeyDWUOYNJWEWUETQ-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
CID 115069923
2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115069914
5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole
CID 46785770
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308656
2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394
4-methoxy-2-pyrrolidin-2-ylquinoline
CID 3320463
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine?
The IUPAC name of 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine (CID 115069875) is 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine?
The canonical SMILES for 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine is COc1ccccc1-c1nc(C)c(C2CCCN2)c(C)n1.
What is the InChIKey of 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine?
The InChIKey is DWUOYNJWEWUETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-16(14-8-6-10-18-14)12(2)20-17(19-11)13-7-4-5-9-15(13)21-3/h4-5,7,9,14,18H,6,8,10H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine?
2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine has a molecular weight of 283.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine is sourced from PubChem (CID 115069875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).