6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

C13H19N3O4 — CID 70765107

IUPAC6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C[C@]1(C)O
InChIInChI=1S/C13H19N3O4/c1-8-6-16(7-13(8,2)20)11(18)9-5-10(17)15(4)12(19)14(9)3/h5,8,20H,6-7H2,1-4H3/t8-,13+/m1/s1
InChIKeyXPKZWXIBMSWDIO-OQPBUACISA-N
MW281.31 g/mol
LogP-1.07
Rot. Bonds1

About 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 70765107) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID70765107
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C[C@]1(C)O
InChIInChI=1S/C13H19N3O4/c1-8-6-16(7-13(8,2)20)11(18)9-5-10(17)15(4)12(19)14(9)3/h5,8,20H,6-7H2,1-4H3/t8-,13+/m1/s1
InChIKeyXPKZWXIBMSWDIO-OQPBUACISA-N
XLogP-1.07
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 70765107) is 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is C[C@@H]1CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C[C@]1(C)O.
What is the InChIKey of 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XPKZWXIBMSWDIO-OQPBUACISA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-6-16(7-13(8,2)20)11(18)9-5-10(17)15(4)12(19)14(9)3/h5,8,20H,6-7H2,1-4H3/t8-,13+/m1/s1.
What are the key properties of 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of -1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 70765107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).