1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione

C18H22N4O3 — CID 124613931

IUPAC1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H22N4O3/c1-19(11-13-12-20(2)18(25)21(3)16(13)23)15-9-10-22(17(15)24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3/t15-/m0/s1
InChIKeyOMRLKIWKQKWBPZ-HNNXBMFYSA-N
MW342.40 g/mol
LogP0.32
Rot. Bonds4

About 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione (PubChem CID 124613931) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione
PubChem CID124613931
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H22N4O3/c1-19(11-13-12-20(2)18(25)21(3)16(13)23)15-9-10-22(17(15)24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3/t15-/m0/s1
InChIKeyOMRLKIWKQKWBPZ-HNNXBMFYSA-N
XLogP0.32
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
(3S)-3-[methyl-[(1-phenyl-1,2,4-triazol-3-yl)methyl]amino]-1-phenylpyrrolidin-2-one
CID 124516406
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione
CID 3041132
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride
CID 120751794
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
CID 71861486
2-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119323654
N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95621387
3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610711

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione (CID 124613931) is 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione is CN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione?
The InChIKey is OMRLKIWKQKWBPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-19(11-13-12-20(2)18(25)21(3)16(13)23)15-9-10-22(17(15)24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 124613931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).