1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid

C11H16N4O3 — CID 136978431

IUPAC1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESCCc1nc(N2CCNCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c1-2-8-13-9(5-10(16)14-8)15-4-3-12-6-7(15)11(17)18/h5,7,12H,2-4,6H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyYLVYVBNYMOSVHR-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.80
Rot. Bonds3

About 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid (PubChem CID 136978431) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
PubChem CID136978431
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESCCc1nc(N2CCNCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c1-2-8-13-9(5-10(16)14-8)15-4-3-12-6-7(15)11(17)18/h5,7,12H,2-4,6H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyYLVYVBNYMOSVHR-UHFFFAOYSA-N
XLogP-0.80
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 136972432
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978433
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 136959263
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136989399
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 97162747
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428
N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978462
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 136958352
N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978464
2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)thiomorpholin-3-yl]acetic acid
CID 136959213
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid (CID 136978431) is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid is CCc1nc(N2CCNCC2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The InChIKey is YLVYVBNYMOSVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-8-13-9(5-10(16)14-8)15-4-3-12-6-7(15)11(17)18/h5,7,12H,2-4,6H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 136978431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).