5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C15H24N4O3 — CID 70761574

IUPAC5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@@H]1CN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C[C@H]1N(C)C
InChIInChI=1S/C15H24N4O3/c1-4-5-10-8-19(9-12(10)18(2)3)13(20)6-11-7-16-15(22)17-14(11)21/h7,10,12H,4-6,8-9H2,1-3H3,(H2,16,17,21,22)/t10-,12-/m1/s1
InChIKeyUQROJTUNPPERKV-ZYHUDNBSSA-N
MW308.38 g/mol
LogP-0.21
Rot. Bonds5

About 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70761574) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70761574
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@@H]1CN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C[C@H]1N(C)C
InChIInChI=1S/C15H24N4O3/c1-4-5-10-8-19(9-12(10)18(2)3)13(20)6-11-7-16-15(22)17-14(11)21/h7,10,12H,4-6,8-9H2,1-3H3,(H2,16,17,21,22)/t10-,12-/m1/s1
InChIKeyUQROJTUNPPERKV-ZYHUDNBSSA-N
XLogP-0.21
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70761574) is 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CCC[C@@H]1CN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C[C@H]1N(C)C.
What is the InChIKey of 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UQROJTUNPPERKV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-5-10-8-19(9-12(10)18(2)3)13(20)6-11-7-16-15(22)17-14(11)21/h7,10,12H,4-6,8-9H2,1-3H3,(H2,16,17,21,22)/t10-,12-/m1/s1.
What are the key properties of 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70761574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).