2,4-dimethylpyrimidine-5-carbaldehyde

C7H8N2O — CID 23398557

IUPAC2,4-dimethylpyrimidine-5-carbaldehyde
SMILESCc1ncc(C=O)c(C)n1
InChIInChI=1S/C7H8N2O/c1-5-7(4-10)3-8-6(2)9-5/h3-4H,1-2H3
InChIKeyCXHZFYWWPZMSGJ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.91
Rot. Bonds1

About 2,4-dimethylpyrimidine-5-carbaldehyde

2,4-dimethylpyrimidine-5-carbaldehyde (PubChem CID 23398557) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,4-dimethylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethylpyrimidine-5-carbaldehyde
PubChem CID23398557
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2,4-dimethylpyrimidine-5-carbaldehyde
SMILESCc1ncc(C=O)c(C)n1
InChIInChI=1S/C7H8N2O/c1-5-7(4-10)3-8-6(2)9-5/h3-4H,1-2H3
InChIKeyCXHZFYWWPZMSGJ-UHFFFAOYSA-N
XLogP0.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.91
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-dimethylpyrimidine-5-carbaldehyde?
The IUPAC name of 2,4-dimethylpyrimidine-5-carbaldehyde (CID 23398557) is 2,4-dimethylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4-dimethylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4-dimethylpyrimidine-5-carbaldehyde is Cc1ncc(C=O)c(C)n1.
What is the InChIKey of 2,4-dimethylpyrimidine-5-carbaldehyde?
The InChIKey is CXHZFYWWPZMSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5-7(4-10)3-8-6(2)9-5/h3-4H,1-2H3.
What are the key properties of 2,4-dimethylpyrimidine-5-carbaldehyde?
2,4-dimethylpyrimidine-5-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 23398557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).