2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde

C9H12N2O2 — CID 83875385

IUPAC2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde
SMILESCc1nc(C=O)cc(OC(C)C)n1
InChIInChI=1S/C9H12N2O2/c1-6(2)13-9-4-8(5-12)10-7(3)11-9/h4-6H,1-3H3
InChIKeyCQOQILBYBLEALQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.38
Rot. Bonds3

About 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde

2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde (PubChem CID 83875385) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde
PubChem CID83875385
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde
SMILESCc1nc(C=O)cc(OC(C)C)n1
InChIInChI=1S/C9H12N2O2/c1-6(2)13-9-4-8(5-12)10-7(3)11-9/h4-6H,1-3H3
InChIKeyCQOQILBYBLEALQ-UHFFFAOYSA-N
XLogP1.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-6-propan-2-yloxypyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde?
The IUPAC name of 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde (CID 83875385) is 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde?
The canonical SMILES for 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde is Cc1nc(C=O)cc(OC(C)C)n1.
What is the InChIKey of 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde?
The InChIKey is CQOQILBYBLEALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)13-9-4-8(5-12)10-7(3)11-9/h4-6H,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde?
2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yloxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 83875385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).