2-methoxypyrimidine-5-carbaldehyde

C6H6N2O2 — CID 3151866

IUPAC2-methoxypyrimidine-5-carbaldehyde
SMILESCOc1ncc(C=O)cn1
InChIInChI=1S/C6H6N2O2/c1-10-6-7-2-5(4-9)3-8-6/h2-4H,1H3
InChIKeyMERUNNHMVZFFRE-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.30
Rot. Bonds2

About 2-methoxypyrimidine-5-carbaldehyde

2-methoxypyrimidine-5-carbaldehyde (PubChem CID 3151866) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-methoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-methoxypyrimidine-5-carbaldehyde
PubChem CID3151866
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-methoxypyrimidine-5-carbaldehyde
SMILESCOc1ncc(C=O)cn1
InChIInChI=1S/C6H6N2O2/c1-10-6-7-2-5(4-9)3-8-6/h2-4H,1H3
InChIKeyMERUNNHMVZFFRE-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-5-carbaldehyde?
The IUPAC name of 2-methoxypyrimidine-5-carbaldehyde (CID 3151866) is 2-methoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-methoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 2-methoxypyrimidine-5-carbaldehyde is COc1ncc(C=O)cn1.
What is the InChIKey of 2-methoxypyrimidine-5-carbaldehyde?
The InChIKey is MERUNNHMVZFFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-10-6-7-2-5(4-9)3-8-6/h2-4H,1H3.
What are the key properties of 2-methoxypyrimidine-5-carbaldehyde?
2-methoxypyrimidine-5-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-5-carbaldehyde is sourced from PubChem (CID 3151866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).