2-methoxypyrimidine-4-carbaldehyde

C6H6N2O2 — CID 10329356

IUPAC2-methoxypyrimidine-4-carbaldehyde
SMILESCOc1nccc(C=O)n1
InChIInChI=1S/C6H6N2O2/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3
InChIKeyTWESBRAYQPCROD-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.30
Rot. Bonds2

About 2-methoxypyrimidine-4-carbaldehyde

2-methoxypyrimidine-4-carbaldehyde (PubChem CID 10329356) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-methoxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxypyrimidine-4-carbaldehyde
PubChem CID10329356
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-methoxypyrimidine-4-carbaldehyde
SMILESCOc1nccc(C=O)n1
InChIInChI=1S/C6H6N2O2/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3
InChIKeyTWESBRAYQPCROD-UHFFFAOYSA-N
XLogP0.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.30
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-methoxypyrimidine-4-carbaldehyde?
The IUPAC name of 2-methoxypyrimidine-4-carbaldehyde (CID 10329356) is 2-methoxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-methoxypyrimidine-4-carbaldehyde?
The canonical SMILES for 2-methoxypyrimidine-4-carbaldehyde is COc1nccc(C=O)n1.
What is the InChIKey of 2-methoxypyrimidine-4-carbaldehyde?
The InChIKey is TWESBRAYQPCROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3.
What are the key properties of 2-methoxypyrimidine-4-carbaldehyde?
2-methoxypyrimidine-4-carbaldehyde has a molecular weight of 138.13 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 10329356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).