methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate

C13H19N3O3 — CID 136989697

IUPACmethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C13H19N3O3/c1-8(2)12-14-10(6-11(17)15-12)16-5-4-9(7-16)13(18)19-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,17)
InChIKeyLOZLYKFYOCQESI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.89
Rot. Bonds3

About methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate

methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 136989697) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID136989697
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C13H19N3O3/c1-8(2)12-14-10(6-11(17)15-12)16-5-4-9(7-16)13(18)19-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,17)
InChIKeyLOZLYKFYOCQESI-UHFFFAOYSA-N
XLogP0.89
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate (CID 136989697) is methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is LOZLYKFYOCQESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)12-14-10(6-11(17)15-12)16-5-4-9(7-16)13(18)19-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,17).
What are the key properties of methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 136989697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).