5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C17H19N3O3 — CID 126427938

IUPAC5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-17(2)10-20(9-13(17)11-6-4-3-5-7-11)15(22)12-8-18-16(23)19-14(12)21/h3-8,13H,9-10H2,1-2H3,(H2,18,19,21,23)/t13-/m1/s1
InChIKeyMMNBFYLUSZAJNK-CYBMUJFWSA-N
MW313.36 g/mol
LogP1.33
Rot. Bonds2

About 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 126427938) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID126427938
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-17(2)10-20(9-13(17)11-6-4-3-5-7-11)15(22)12-8-18-16(23)19-14(12)21/h3-8,13H,9-10H2,1-2H3,(H2,18,19,21,23)/t13-/m1/s1
InChIKeyMMNBFYLUSZAJNK-CYBMUJFWSA-N
XLogP1.33
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 119065374
4-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-2H-phthalazin-1-one
CID 119060005
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113
5-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 45194517
3-[(4S)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 126451422
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 124569564
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126440527
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 119074099
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 119067365
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 103575831
5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70788614

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 126427938) is 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CC1(C)CN(C(=O)c2c[nH]c(=O)[nH]c2=O)C[C@@H]1c1ccccc1.
What is the InChIKey of 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MMNBFYLUSZAJNK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(2)10-20(9-13(17)11-6-4-3-5-7-11)15(22)12-8-18-16(23)19-14(12)21/h3-8,13H,9-10H2,1-2H3,(H2,18,19,21,23)/t13-/m1/s1.
What are the key properties of 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126427938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).