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

C12H16N4O3 — CID 136978433

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H16N4O3/c17-10-5-9(14-11(15-10)7-1-2-7)16-4-3-13-6-8(16)12(18)19/h5,7-8,13H,1-4,6H2,(H,18,19)(H,14,15,17)
InChIKeyAEIIDQRXYFMKBY-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.49
Rot. Bonds3

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

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid (PubChem CID 136978433) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
PubChem CID136978433
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H16N4O3/c17-10-5-9(14-11(15-10)7-1-2-7)16-4-3-13-6-8(16)12(18)19/h5,7-8,13H,1-4,6H2,(H,18,19)(H,14,15,17)
InChIKeyAEIIDQRXYFMKBY-UHFFFAOYSA-N
XLogP-0.49
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclopropyl-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

4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959134
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978431
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 136959028
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136989399
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 97162747
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958750
N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978462
2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008995
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-5-one
CID 137009553
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid (CID 136978433) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid is O=C(O)C1CNCCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The InChIKey is AEIIDQRXYFMKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-10-5-9(14-11(15-10)7-1-2-7)16-4-3-13-6-8(16)12(18)19/h5,7-8,13H,1-4,6H2,(H,18,19)(H,14,15,17).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 136978433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).