5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C19H25N3O3 — CID 125136210

IUPAC5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H25N3O3/c1-20-12-15(18(24)21(2)19(20)25)13-22-10-6-9-16(22)11-17(23)14-7-4-3-5-8-14/h3-5,7-8,12,16-17,23H,6,9-11,13H2,1-2H3/t16-,17+/m0/s1
InChIKeyPKWZNHHEVHNEAO-DLBZAZTESA-N
MW343.43 g/mol
LogP1.17
Rot. Bonds5

About 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 125136210) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID125136210
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H25N3O3/c1-20-12-15(18(24)21(2)19(20)25)13-22-10-6-9-16(22)11-17(23)14-7-4-3-5-8-14/h3-5,7-8,12,16-17,23H,6,9-11,13H2,1-2H3/t16-,17+/m0/s1
InChIKeyPKWZNHHEVHNEAO-DLBZAZTESA-N
XLogP1.17
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
4-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanenitrile
CID 111490109
3-[2-(2-hydroxy-2-phenylethyl)azepan-1-yl]propanoic acid;hydrochloride
CID 119934761
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 111490219
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
1-phenyl-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]ethanol
CID 111490240
2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide
CID 71989179
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 125136210) is 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PKWZNHHEVHNEAO-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-20-12-15(18(24)21(2)19(20)25)13-22-10-6-9-16(22)11-17(23)14-7-4-3-5-8-14/h3-5,7-8,12,16-17,23H,6,9-11,13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 343.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 125136210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).