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

C17H25N3O3 — CID 94637332

IUPAC5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1C1CCCC1
InChIInChI=1S/C17H25N3O3/c1-11-13(16(22)19-17(23)18-11)8-9-15(21)20-10-4-7-14(20)12-5-2-3-6-12/h12,14H,2-10H2,1H3,(H2,18,19,22,23)/t14-/m1/s1
InChIKeySBSKKNCUSXIBGW-CQSZACIVSA-N
MW319.40 g/mol
LogP1.49
Rot. Bonds4

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

5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 94637332) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID94637332
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1C1CCCC1
InChIInChI=1S/C17H25N3O3/c1-11-13(16(22)19-17(23)18-11)8-9-15(21)20-10-4-7-14(20)12-5-2-3-6-12/h12,14H,2-10H2,1H3,(H2,18,19,22,23)/t14-/m1/s1
InChIKeySBSKKNCUSXIBGW-CQSZACIVSA-N
XLogP1.49
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
CID 30839513
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
5-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 9406447
5-[3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 71909231
5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 103901104
3-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-1,2-dimethyl-7H-pyrrolo[2,3-b]pyridin-4-one
CID 71730598
6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione
CID 62045733
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9489544
6-methyl-5-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70772941
3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119288477
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-chlorobutan-1-one
CID 63309531
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43406528

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 94637332) is 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1C1CCCC1.
What is the InChIKey of 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SBSKKNCUSXIBGW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-13(16(22)19-17(23)18-11)8-9-15(21)20-10-4-7-14(20)12-5-2-3-6-12/h12,14H,2-10H2,1H3,(H2,18,19,22,23)/t14-/m1/s1.
What are the key properties of 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 319.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 94637332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).