2,4-dimethoxypyrimidine-5-carbaldehyde

C7H8N2O3 — CID 597782

IUPAC2,4-dimethoxypyrimidine-5-carbaldehyde
SMILESCOc1ncc(C=O)c(OC)n1
InChIInChI=1S/C7H8N2O3/c1-11-6-5(4-10)3-8-7(9-6)12-2/h3-4H,1-2H3
InChIKeyAJTAWJHBACJZAL-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.31
Rot. Bonds3

About 2,4-dimethoxypyrimidine-5-carbaldehyde

2,4-dimethoxypyrimidine-5-carbaldehyde (PubChem CID 597782) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2,4-dimethoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethoxypyrimidine-5-carbaldehyde
PubChem CID597782
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2,4-dimethoxypyrimidine-5-carbaldehyde
SMILESCOc1ncc(C=O)c(OC)n1
InChIInChI=1S/C7H8N2O3/c1-11-6-5(4-10)3-8-7(9-6)12-2/h3-4H,1-2H3
InChIKeyAJTAWJHBACJZAL-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'}

Analyze 2,4-dimethoxypyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dimethoxy-5-methylpyrimidine
CID 579948
Ethyl 5-pyrimidinecarboxylate
CID 4223810
5-Pyrimidinecarboxamide, 2-amino-N-(3-(dimethylamino)propyl)-4-methoxy-
CID 3069100
5-Pyrimidinecarboxamide, 2-amino-N-(3-(diethylamino)propyl)-4-methoxy-
CID 3069101
4,6-Dimethoxypyrimidine-5-carbaldehyde
CID 4436645
4-Methoxy-2-methylpyrimidine-5-carboxylic acid
CID 12828958
4-Methoxypyrimidine-5-carbaldehyde
CID 19875763
Ethyl 4-ethoxy-2-methylpyrimidine-5-carboxylate
CID 12318268
4-Methoxy-5-methylpyrimidine
CID 13861006
4-Amino-6-methoxypyrimidine-5-carbaldehyde
CID 71695332
Methyl 2-methoxypyrimidine-5-carboxylate
CID 12627753
Ethyl 4-ethoxypyrimidine-5-carboxylate
CID 16637777

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxypyrimidine-5-carbaldehyde?
The IUPAC name of 2,4-dimethoxypyrimidine-5-carbaldehyde (CID 597782) is 2,4-dimethoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4-dimethoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4-dimethoxypyrimidine-5-carbaldehyde is COc1ncc(C=O)c(OC)n1.
What is the InChIKey of 2,4-dimethoxypyrimidine-5-carbaldehyde?
The InChIKey is AJTAWJHBACJZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-11-6-5(4-10)3-8-7(9-6)12-2/h3-4H,1-2H3.
What are the key properties of 2,4-dimethoxypyrimidine-5-carbaldehyde?
2,4-dimethoxypyrimidine-5-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 2,4-dimethoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 597782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).