1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide

C12H16N4O4 — CID 170519107

IUPAC1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1cn(CC(=O)N2CCCC2C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O4/c1-7-5-15(12(20)14-11(7)19)6-9(17)16-4-2-3-8(16)10(13)18/h5,8H,2-4,6H2,1H3,(H2,13,18)(H,14,19,20)
InChIKeyAFFXOBLNGPYYPQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.68
Rot. Bonds3

About 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide

1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 170519107) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID170519107
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1cn(CC(=O)N2CCCC2C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O4/c1-7-5-15(12(20)14-11(7)19)6-9(17)16-4-2-3-8(16)10(13)18/h5,8H,2-4,6H2,1H3,(H2,13,18)(H,14,19,20)
InChIKeyAFFXOBLNGPYYPQ-UHFFFAOYSA-N
XLogP-1.68
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide (CID 170519107) is 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide is Cc1cn(CC(=O)N2CCCC2C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is AFFXOBLNGPYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7-5-15(12(20)14-11(7)19)6-9(17)16-4-2-3-8(16)10(13)18/h5,8H,2-4,6H2,1H3,(H2,13,18)(H,14,19,20).
What are the key properties of 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide?
1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 280.28 g/mol, XLogP of -1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170519107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).