5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C17H21N3O3 — CID 135004024

IUPAC5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C2CCNC2Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C17H21N3O3/c1-19-15(21)14(16(22)20(2)17(19)23)12-8-9-18-13(12)10-11-6-4-3-5-7-11/h3-7,12-13,18,21H,8-10H2,1-2H3
InChIKeyOETRRAOHLUXANC-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.48
Rot. Bonds3

About 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135004024) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135004024
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C2CCNC2Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C17H21N3O3/c1-19-15(21)14(16(22)20(2)17(19)23)12-8-9-18-13(12)10-11-6-4-3-5-7-11/h3-7,12-13,18,21H,8-10H2,1-2H3
InChIKeyOETRRAOHLUXANC-UHFFFAOYSA-N
XLogP0.48
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine
CID 79971324
2-benzyl-3-(3-chloro-4-fluorophenyl)pyrrolidine
CID 81165823
4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570445
(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one
CID 155214736
2-benzyl-3-(3-methoxyphenyl)pyrrolidine
CID 62720607
5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 12060242
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
3-benzyl-2-ethylpyrrolidine
CID 4543797
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
2-benzylpiperidin-3-ol;hydrochloride
CID 115036439

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 135004024) is 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C2CCNC2Cc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OETRRAOHLUXANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-15(21)14(16(22)20(2)17(19)23)12-8-9-18-13(12)10-11-6-4-3-5-7-11/h3-7,12-13,18,21H,8-10H2,1-2H3.
What are the key properties of 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135004024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).