6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde

C10H12N2O2 — CID 65328561

IUPAC6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(C2CCCO2)n1
InChIInChI=1S/C10H12N2O2/c1-7-5-8(6-13)12-10(11-7)9-3-2-4-14-9/h5-6,9H,2-4H2,1H3
InChIKeyCJZKJGXTKXPTNL-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.45
Rot. Bonds2

About 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde

6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde (PubChem CID 65328561) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde
PubChem CID65328561
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(C2CCCO2)n1
InChIInChI=1S/C10H12N2O2/c1-7-5-8(6-13)12-10(11-7)9-3-2-4-14-9/h5-6,9H,2-4H2,1H3
InChIKeyCJZKJGXTKXPTNL-UHFFFAOYSA-N
XLogP1.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde (CID 65328561) is 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(C2CCCO2)n1.
What is the InChIKey of 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde?
The InChIKey is CJZKJGXTKXPTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-5-8(6-13)12-10(11-7)9-3-2-4-14-9/h5-6,9H,2-4H2,1H3.
What are the key properties of 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde?
6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde has a molecular weight of 192.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 65328561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).