2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid

C11H15N3O4 — CID 115114607

IUPAC2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CC2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O4/c15-9-8(10(16)17)6-14(11(18)13-9)5-7-1-3-12-4-2-7/h6-7,12H,1-5H2,(H,16,17)(H,13,15,18)
InChIKeyFCELSEYSXZEAMC-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.77
Rot. Bonds3

About 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid

2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid (PubChem CID 115114607) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid
PubChem CID115114607
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CC2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O4/c15-9-8(10(16)17)6-14(11(18)13-9)5-7-1-3-12-4-2-7/h6-7,12H,1-5H2,(H,16,17)(H,13,15,18)
InChIKeyFCELSEYSXZEAMC-UHFFFAOYSA-N
XLogP-0.77
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxylic acid
CID 79876463
5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
CID 115114602
1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875071
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875782
2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
CID 79873769
1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 55255033
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687
1-(2,2-dimethylbutyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 103466425
1-[4-(dimethylamino)butyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875074
5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
CID 105061182

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid (CID 115114607) is 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cn(CC2CCNCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid?
The InChIKey is FCELSEYSXZEAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9-8(10(16)17)6-14(11(18)13-9)5-7-1-3-12-4-2-7/h6-7,12H,1-5H2,(H,16,17)(H,13,15,18).
What are the key properties of 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid?
2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115114607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).