4-methoxypyrimidine-5-carbaldehyde

C6H6N2O2 — CID 19875763

IUPAC4-methoxypyrimidine-5-carbaldehyde
SMILESCOc1ncncc1C=O
InChIInChI=1S/C6H6N2O2/c1-10-6-5(3-9)2-7-4-8-6/h2-4H,1H3
InChIKeyQFPUGGPMHMCQCR-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.30
Rot. Bonds2

About 4-methoxypyrimidine-5-carbaldehyde

4-methoxypyrimidine-5-carbaldehyde (PubChem CID 19875763) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-methoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-methoxypyrimidine-5-carbaldehyde
PubChem CID19875763
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name4-methoxypyrimidine-5-carbaldehyde
SMILESCOc1ncncc1C=O
InChIInChI=1S/C6H6N2O2/c1-10-6-5(3-9)2-7-4-8-6/h2-4H,1H3
InChIKeyQFPUGGPMHMCQCR-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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Related Compounds

2,4-Dimethoxy-5-methylpyrimidine
CID 579948
Ethyl 5-pyrimidinecarboxylate
CID 4223810
2-Methoxypyrimidine-5-carboxaldehyde
CID 3151866
Methyl pyrimidine-5-carboxylate
CID 253902
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
Ethyl 4-ethoxy-2-methylpyrimidine-5-carboxylate
CID 12318268
4-Methoxy-5-methylpyrimidine
CID 13861006
2,4-Dimethoxypyrimidine-5-carbaldehyde
CID 597782
4-Amino-6-methoxypyrimidine-5-carbaldehyde
CID 71695332

Frequently Asked Questions

What is the IUPAC name of 4-methoxypyrimidine-5-carbaldehyde?
The IUPAC name of 4-methoxypyrimidine-5-carbaldehyde (CID 19875763) is 4-methoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-methoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 4-methoxypyrimidine-5-carbaldehyde is COc1ncncc1C=O.
What is the InChIKey of 4-methoxypyrimidine-5-carbaldehyde?
The InChIKey is QFPUGGPMHMCQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-10-6-5(3-9)2-7-4-8-6/h2-4H,1H3.
What are the key properties of 4-methoxypyrimidine-5-carbaldehyde?
4-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 4-methoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 19875763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).