2-methylpyrimidine-5-carbaldehyde

C6H6N2O — CID 3160970

IUPAC2-methylpyrimidine-5-carbaldehyde
SMILESCc1ncc(C=O)cn1
InChIInChI=1S/C6H6N2O/c1-5-7-2-6(4-9)3-8-5/h2-4H,1H3
InChIKeyIJBONYUNKRDIFC-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.60
Rot. Bonds1

About 2-methylpyrimidine-5-carbaldehyde

2-methylpyrimidine-5-carbaldehyde (PubChem CID 3160970) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-methylpyrimidine-5-carbaldehyde
PubChem CID3160970
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-methylpyrimidine-5-carbaldehyde
SMILESCc1ncc(C=O)cn1
InChIInChI=1S/C6H6N2O/c1-5-7-2-6(4-9)3-8-5/h2-4H,1H3
InChIKeyIJBONYUNKRDIFC-UHFFFAOYSA-N
XLogP0.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.60
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-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-methylpyrimidine-5-carbaldehyde (CID 3160970) is 2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-methylpyrimidine-5-carbaldehyde is Cc1ncc(C=O)cn1.
What is the InChIKey of 2-methylpyrimidine-5-carbaldehyde?
The InChIKey is IJBONYUNKRDIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-5-7-2-6(4-9)3-8-5/h2-4H,1H3.
What are the key properties of 2-methylpyrimidine-5-carbaldehyde?
2-methylpyrimidine-5-carbaldehyde has a molecular weight of 122.13 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 3160970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).