1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione

C18H21N3O3 — CID 50755479

IUPAC1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
SMILESCc1ccc(Cn2ccc(=O)n(CC(=O)N3CCCC3)c2=O)cc1
InChIInChI=1S/C18H21N3O3/c1-14-4-6-15(7-5-14)12-20-11-8-16(22)21(18(20)24)13-17(23)19-9-2-3-10-19/h4-8,11H,2-3,9-10,12-13H2,1H3
InChIKeyOWUBETWIMDKQHE-UHFFFAOYSA-N
MW327.38 g/mol
LogP0.99
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione

1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 50755479) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID50755479
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
SMILESCc1ccc(Cn2ccc(=O)n(CC(=O)N3CCCC3)c2=O)cc1
InChIInChI=1S/C18H21N3O3/c1-14-4-6-15(7-5-14)12-20-11-8-16(22)21(18(20)24)13-17(23)19-9-2-3-10-19/h4-8,11H,2-3,9-10,12-13H2,1H3
InChIKeyOWUBETWIMDKQHE-UHFFFAOYSA-N
XLogP0.99
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 129467529
1-benzyl-3-[2-oxo-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-dione
CID 112823560
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-benzylpyrimidine-2,4-dione;hydrochloride
CID 119519138
3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 106934140
1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 50755410
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755527
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100742023
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755239
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-benzylpyrimidine-2,4-dione
CID 41412063

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione (CID 50755479) is 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione is Cc1ccc(Cn2ccc(=O)n(CC(=O)N3CCCC3)c2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is OWUBETWIMDKQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-4-6-15(7-5-14)12-20-11-8-16(22)21(18(20)24)13-17(23)19-9-2-3-10-19/h4-8,11H,2-3,9-10,12-13H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 50755479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).