2,6-dimethoxypyrimidine-4-carbaldehyde

C7H8N2O3 — CID 11105743

IUPAC2,6-dimethoxypyrimidine-4-carbaldehyde
SMILESCOc1cc(C=O)nc(OC)n1
InChIInChI=1S/C7H8N2O3/c1-11-6-3-5(4-10)8-7(9-6)12-2/h3-4H,1-2H3
InChIKeyMHJMVJKHXBJXAU-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.31
Rot. Bonds3

About 2,6-dimethoxypyrimidine-4-carbaldehyde

2,6-dimethoxypyrimidine-4-carbaldehyde (PubChem CID 11105743) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2,6-dimethoxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethoxypyrimidine-4-carbaldehyde
PubChem CID11105743
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2,6-dimethoxypyrimidine-4-carbaldehyde
SMILESCOc1cc(C=O)nc(OC)n1
InChIInChI=1S/C7H8N2O3/c1-11-6-3-5(4-10)8-7(9-6)12-2/h3-4H,1-2H3
InChIKeyMHJMVJKHXBJXAU-UHFFFAOYSA-N
XLogP0.31
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethoxypyrimidine-4-carboxylic acid
CID 2736210
2,4-Dimethoxy-6-methylpyrimidine
CID 269820
Methyl 2,6-dimethoxypyrimidine-4-carboxylate
CID 330001
6-Methoxypyrimidine-4-carbaldehyde
CID 83478989
6-Ethoxypyrimidine-4-carbaldehyde
CID 83872553
6-(2-Fluoroethoxy)pyrimidine-4-carbaldehyde
CID 166101084
2-Amino-6-methoxypyrimidine-4-carboxylic acid
CID 240533
Methyl 2-chloro-6-methoxypyrimidine-4-carboxylate
CID 312614
2-Chloro-6-methoxypyrimidine-4-carboxylic acid
CID 3498524
N,2,6-trimethoxy-N-methylpyrimidine-4-carboxamide
CID 4460911
2-Chloro-6-methoxypyrimidine-4-carboxylate
CID 7282718
Methyl 6-methoxypyrimidine-4-carboxylate
CID 68757587

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxypyrimidine-4-carbaldehyde?
The IUPAC name of 2,6-dimethoxypyrimidine-4-carbaldehyde (CID 11105743) is 2,6-dimethoxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 2,6-dimethoxypyrimidine-4-carbaldehyde?
The canonical SMILES for 2,6-dimethoxypyrimidine-4-carbaldehyde is COc1cc(C=O)nc(OC)n1.
What is the InChIKey of 2,6-dimethoxypyrimidine-4-carbaldehyde?
The InChIKey is MHJMVJKHXBJXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-11-6-3-5(4-10)8-7(9-6)12-2/h3-4H,1-2H3.
What are the key properties of 2,6-dimethoxypyrimidine-4-carbaldehyde?
2,6-dimethoxypyrimidine-4-carbaldehyde has a molecular weight of 168.15 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 11105743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).