2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde

C8H11N3O — CID 83873287

IUPAC2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde
SMILESCN(C)c1cc(CC=O)ncn1
InChIInChI=1S/C8H11N3O/c1-11(2)8-5-7(3-4-12)9-6-10-8/h4-6H,3H2,1-2H3
InChIKeyVQGLILSQEPKNJY-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.28
Rot. Bonds3

About 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde

2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde (PubChem CID 83873287) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde
PubChem CID83873287
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde
SMILESCN(C)c1cc(CC=O)ncn1
InChIInChI=1S/C8H11N3O/c1-11(2)8-5-7(3-4-12)9-6-10-8/h4-6H,3H2,1-2H3
InChIKeyVQGLILSQEPKNJY-UHFFFAOYSA-N
XLogP0.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde?
The IUPAC name of 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde (CID 83873287) is 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde is CN(C)c1cc(CC=O)ncn1.
What is the InChIKey of 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde?
The InChIKey is VQGLILSQEPKNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11(2)8-5-7(3-4-12)9-6-10-8/h4-6H,3H2,1-2H3.
What are the key properties of 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde?
2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde has a molecular weight of 165.20 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde is sourced from PubChem (CID 83873287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).