6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione

C19H23N3O3 — CID 30839513

IUPAC6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc([C@H]2CCCN2C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-12-5-7-14(8-6-12)16-4-3-11-22(16)17(23)10-9-15-13(2)20-19(25)21-18(15)24/h5-8,16H,3-4,9-11H2,1-2H3,(H2,20,21,24,25)/t16-/m1/s1
InChIKeyBHZWWVJINLTWFY-MRXNPFEDSA-N
MW341.41 g/mol
LogP1.98
Rot. Bonds4

About 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione (PubChem CID 30839513) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
PubChem CID30839513
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc([C@H]2CCCN2C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-12-5-7-14(8-6-12)16-4-3-11-22(16)17(23)10-9-15-13(2)20-19(25)21-18(15)24/h5-8,16H,3-4,9-11H2,1-2H3,(H2,20,21,24,25)/t16-/m1/s1
InChIKeyBHZWWVJINLTWFY-MRXNPFEDSA-N
XLogP1.98
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 94637332
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137316825
5-[3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 71909231
5-[3-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 18147715
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 136804359
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
1-(4-methylphenyl)-4-(2-pyridin-4-ylpyrrolidin-1-yl)butane-1,4-dione
CID 86920444
5-[3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 99698544
5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136799775
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione (CID 30839513) is 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione is Cc1ccc([C@H]2CCCN2C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BHZWWVJINLTWFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-5-7-14(8-6-12)16-4-3-11-22(16)17(23)10-9-15-13(2)20-19(25)21-18(15)24/h5-8,16H,3-4,9-11H2,1-2H3,(H2,20,21,24,25)/t16-/m1/s1.
What are the key properties of 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 30839513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).