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

C13H19N3O3 — CID 137007532

IUPACmethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H19N3O3/c1-8(2)12-14-10(7-11(17)15-12)16-6-4-5-9(16)13(18)19-3/h7-9H,4-6H2,1-3H3,(H,14,15,17)
InChIKeyLYTRDFCANRGCIE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.04
Rot. Bonds3

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

methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 137007532) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID137007532
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H19N3O3/c1-8(2)12-14-10(7-11(17)15-12)16-6-4-5-9(16)13(18)19-3/h7-9H,4-6H2,1-3H3,(H,14,15,17)
InChIKeyLYTRDFCANRGCIE-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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-2-carboxylate?
The IUPAC name of methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 137007532) is methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is LYTRDFCANRGCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)12-14-10(7-11(17)15-12)16-6-4-5-9(16)13(18)19-3/h7-9H,4-6H2,1-3H3,(H,14,15,17).
What are the key properties of methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.04, 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-2-carboxylate is sourced from PubChem (CID 137007532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).