2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde

C8H10N2O — CID 87170202

IUPAC2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde
SMILESCc1cc(C)nc(CC=O)n1
InChIInChI=1S/C8H10N2O/c1-6-5-7(2)10-8(9-6)3-4-11/h4-5H,3H2,1-2H3
InChIKeyHHEGVWVBLHNWGT-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.83
Rot. Bonds2

About 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde

2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde (PubChem CID 87170202) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde
PubChem CID87170202
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde
SMILESCc1cc(C)nc(CC=O)n1
InChIInChI=1S/C8H10N2O/c1-6-5-7(2)10-8(9-6)3-4-11/h4-5H,3H2,1-2H3
InChIKeyHHEGVWVBLHNWGT-UHFFFAOYSA-N
XLogP0.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4,6-dimethylpyrimidin-2-yl)acetaldehyde?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde (CID 87170202) is 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde is Cc1cc(C)nc(CC=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde?
The InChIKey is HHEGVWVBLHNWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-5-7(2)10-8(9-6)3-4-11/h4-5H,3H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde?
2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde has a molecular weight of 150.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde is sourced from PubChem (CID 87170202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).