6-methoxypyrimidine-4-carbaldehyde

C6H6N2O2 — CID 83478989

IUPAC6-methoxypyrimidine-4-carbaldehyde
SMILESCOc1cc(C=O)ncn1
InChIInChI=1S/C6H6N2O2/c1-10-6-2-5(3-9)7-4-8-6/h2-4H,1H3
InChIKeyKENOCRSRAANEFH-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.30
Rot. Bonds2

About 6-methoxypyrimidine-4-carbaldehyde

6-methoxypyrimidine-4-carbaldehyde (PubChem CID 83478989) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 6-methoxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methoxypyrimidine-4-carbaldehyde
PubChem CID83478989
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name6-methoxypyrimidine-4-carbaldehyde
SMILESCOc1cc(C=O)ncn1
InChIInChI=1S/C6H6N2O2/c1-10-6-2-5(3-9)7-4-8-6/h2-4H,1H3
InChIKeyKENOCRSRAANEFH-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'}

Analyze 6-methoxypyrimidine-4-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

6-methoxypyrimidine-4-carboxylic Acid
CID 3300297
4-Methoxy-6-methylpyrimidine
CID 11959085
2,6-Dimethoxy-4-pyrimidinecarboxaldehyde
CID 11105743
6-Ethoxypyrimidine-4-carbaldehyde
CID 83872553
Methyl 6-(difluoromethoxy)pyrimidine-4-carboxylate
CID 161698620
6-(2-Fluoroethoxy)pyrimidine-4-carbaldehyde
CID 166101084
6-(2-Fluoroethoxy)pyrimidine-4-carboxamide
CID 175801232
N,2,6-trimethoxy-N-methylpyrimidine-4-carboxamide
CID 4460911
Methyl 6-methoxypyrimidine-4-carboxylate
CID 68757587
6-Methoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 83882638
6-Ethoxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 83889190
6-Propan-2-yloxy-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 83895912

Frequently Asked Questions

What is the IUPAC name of 6-methoxypyrimidine-4-carbaldehyde?
The IUPAC name of 6-methoxypyrimidine-4-carbaldehyde (CID 83478989) is 6-methoxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methoxypyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methoxypyrimidine-4-carbaldehyde is COc1cc(C=O)ncn1.
What is the InChIKey of 6-methoxypyrimidine-4-carbaldehyde?
The InChIKey is KENOCRSRAANEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-10-6-2-5(3-9)7-4-8-6/h2-4H,1H3.
What are the key properties of 6-methoxypyrimidine-4-carbaldehyde?
6-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 6-methoxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 83478989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).