1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

C19H23N3O3 — CID 126450682

IUPAC1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O3/c1-13-9-21(18(25)20-17(13)24)11-16(23)22-10-15(19(2,3)12-22)14-7-5-4-6-8-14/h4-9,15H,10-12H2,1-3H3,(H,20,24,25)/t15-/m1/s1
InChIKeyINOFRNGYYFVSQH-OAHLLOKOSA-N
MW341.41 g/mol
LogP1.50
Rot. Bonds3

About 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 126450682) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
PubChem CID126450682
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O3/c1-13-9-21(18(25)20-17(13)24)11-16(23)22-10-15(19(2,3)12-22)14-7-5-4-6-8-14/h4-9,15H,10-12H2,1-3H3,(H,20,24,25)/t15-/m1/s1
InChIKeyINOFRNGYYFVSQH-OAHLLOKOSA-N
XLogP1.50
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718
4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
CID 119066565
1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 77097531
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715
1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154850217
5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 157017676
1-[2-[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 91796498
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70783415
5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126427938
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 126434334
1-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 126434333
(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 70682717

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (CID 126450682) is 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CC(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is INOFRNGYYFVSQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-9-21(18(25)20-17(13)24)11-16(23)22-10-15(19(2,3)12-22)14-7-5-4-6-8-14/h4-9,15H,10-12H2,1-3H3,(H,20,24,25)/t15-/m1/s1.
What are the key properties of 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 126450682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).