4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde

C10H14N2O2 — CID 83878862

IUPAC4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCCOc1nc(C(C)C)ncc1C=O
InChIInChI=1S/C10H14N2O2/c1-4-14-10-8(6-13)5-11-9(12-10)7(2)3/h5-7H,4H2,1-3H3
InChIKeyQYXQESWHJXHPMV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.81
Rot. Bonds4

About 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde

4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 83878862) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID83878862
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCCOc1nc(C(C)C)ncc1C=O
InChIInChI=1S/C10H14N2O2/c1-4-14-10-8(6-13)5-11-9(12-10)7(2)3/h5-7H,4H2,1-3H3
InChIKeyQYXQESWHJXHPMV-UHFFFAOYSA-N
XLogP1.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.81
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 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde (CID 83878862) is 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde is CCOc1nc(C(C)C)ncc1C=O.
What is the InChIKey of 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is QYXQESWHJXHPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-14-10-8(6-13)5-11-9(12-10)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde?
4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 83878862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).