2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde

C11H14N2O3 — CID 175157161

IUPAC2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde
SMILESCc1nc(C=O)cc(OC2CCOCC2)n1
InChIInChI=1S/C11H14N2O3/c1-8-12-9(7-14)6-11(13-8)16-10-2-4-15-5-3-10/h6-7,10H,2-5H2,1H3
InChIKeyKKDQLARKGUEFNA-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde

2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde (PubChem CID 175157161) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde
PubChem CID175157161
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde
SMILESCc1nc(C=O)cc(OC2CCOCC2)n1
InChIInChI=1S/C11H14N2O3/c1-8-12-9(7-14)6-11(13-8)16-10-2-4-15-5-3-10/h6-7,10H,2-5H2,1H3
InChIKeyKKDQLARKGUEFNA-UHFFFAOYSA-N
XLogP1.16
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(oxan-4-yloxy)pyrimidine-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-(oxan-4-yloxy)pyrimidine-4-carbaldehyde?
The IUPAC name of 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde (CID 175157161) is 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde is Cc1nc(C=O)cc(OC2CCOCC2)n1.
What is the InChIKey of 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde?
The InChIKey is KKDQLARKGUEFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-12-9(7-14)6-11(13-8)16-10-2-4-15-5-3-10/h6-7,10H,2-5H2,1H3.
What are the key properties of 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde?
2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde has a molecular weight of 222.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxan-4-yloxy)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 175157161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).