4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde

C10H12N4O3 — CID 110850252

IUPAC4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C10H12N4O3/c15-7-13-1-3-14(4-2-13)10(17)8-5-11-6-12-9(8)16/h5-7H,1-4H2,(H,11,12,16)
InChIKeyOPCXLHSJSONSJJ-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.32
Rot. Bonds2

About 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde

4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110850252) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
PubChem CID110850252
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C10H12N4O3/c15-7-13-1-3-14(4-2-13)10(17)8-5-11-6-12-9(8)16/h5-7H,1-4H2,(H,11,12,16)
InChIKeyOPCXLHSJSONSJJ-UHFFFAOYSA-N
XLogP-1.32
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 56910801
5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110091367
5-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56751503
4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
CID 110850208
5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95563751
4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 110647825
5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 72867263
5-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97113994
4-(3-methylphenoxy)-1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 56890009
5-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954553
5-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954554
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde (CID 110850252) is 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2cnc[nH]c2=O)CC1.
What is the InChIKey of 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is OPCXLHSJSONSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-7-13-1-3-14(4-2-13)10(17)8-5-11-6-12-9(8)16/h5-7H,1-4H2,(H,11,12,16).
What are the key properties of 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde?
4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 236.23 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110850252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).