2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde

C6H10N2O — CID 54090667

IUPAC2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde
SMILESO=CCN1C=NCCC1
InChIInChI=1S/C6H10N2O/c9-5-4-8-3-1-2-7-6-8/h5-6H,1-4H2
InChIKeyMTPNZNVPMIFOLV-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.08
Rot. Bonds2

About 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde

2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde (PubChem CID 54090667) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde
PubChem CID54090667
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde
SMILESO=CCN1C=NCCC1
InChIInChI=1S/C6H10N2O/c9-5-4-8-3-1-2-7-6-8/h5-6H,1-4H2
InChIKeyMTPNZNVPMIFOLV-UHFFFAOYSA-N
XLogP-0.08
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde?
The IUPAC name of 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde (CID 54090667) is 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde is O=CCN1C=NCCC1.
What is the InChIKey of 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde?
The InChIKey is MTPNZNVPMIFOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c9-5-4-8-3-1-2-7-6-8/h5-6H,1-4H2.
What are the key properties of 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde?
2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde has a molecular weight of 126.16 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-pyrimidin-1-yl)acetaldehyde is sourced from PubChem (CID 54090667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).