1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

C14H22N4O3 — CID 97024370

IUPAC1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESC[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1N(C)C
InChIInChI=1S/C14H22N4O3/c1-10-7-18(8-11(10)15(2)3)13(20)9-17-6-5-12(19)16(4)14(17)21/h5-6,10-11H,7-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyPJQZKCHYXCHDQM-QWRGUYRKSA-N
MW294.36 g/mol
LogP-1.04
Rot. Bonds3

About 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (PubChem CID 97024370) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
PubChem CID97024370
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESC[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1N(C)C
InChIInChI=1S/C14H22N4O3/c1-10-7-18(8-11(10)15(2)3)13(20)9-17-6-5-12(19)16(4)14(17)21/h5-6,10-11H,7-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyPJQZKCHYXCHDQM-QWRGUYRKSA-N
XLogP-1.04
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124590048
1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119564572
1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 62917794
3-methyl-1-[2-[(3S)-3-methylpiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 124591308
1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 96513038
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119491896
3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 71870607
2-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 96512933
1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119647142
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96513072
3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66062333
1-[2-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124692158

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (CID 97024370) is 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1N(C)C.
What is the InChIKey of 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is PJQZKCHYXCHDQM-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-7-18(8-11(10)15(2)3)13(20)9-17-6-5-12(19)16(4)14(17)21/h5-6,10-11H,7-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 294.36 g/mol, XLogP of -1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 97024370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).