2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide

C11H17N5O3 — CID 43600278

IUPAC2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCNCC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H17N5O3/c17-9(8-7-14-11(19)15-10(8)18)13-3-6-16-4-1-12-2-5-16/h7,12H,1-6H2,(H,13,17)(H2,14,15,18,19)
InChIKeyLLEKUCMWPUSXNI-UHFFFAOYSA-N
MW267.29 g/mol
LogP-2.30
Rot. Bonds4

About 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 43600278) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide
PubChem CID43600278
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCNCC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H17N5O3/c17-9(8-7-14-11(19)15-10(8)18)13-3-6-16-4-1-12-2-5-16/h7,12H,1-6H2,(H,13,17)(H2,14,15,18,19)
InChIKeyLLEKUCMWPUSXNI-UHFFFAOYSA-N
XLogP-2.30
TPSA110.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 55100584
6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 119445716
2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119394055
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
N-(2-piperazin-1-ylethyl)thiadiazole-4-carboxamide
CID 65216444
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide (CID 43600278) is 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide is O=C(NCCN1CCNCC1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is LLEKUCMWPUSXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-9(8-7-14-11(19)15-10(8)18)13-3-6-16-4-1-12-2-5-16/h7,12H,1-6H2,(H,13,17)(H2,14,15,18,19).
What are the key properties of 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 43600278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).