6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde

C11H17N3O — CID 83883321

IUPAC6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde
SMILESCCc1nc(C=O)cc(N(CC)CC)n1
InChIInChI=1S/C11H17N3O/c1-4-10-12-9(8-15)7-11(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3
InChIKeyFUQSQXDIORIZKN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.70
Rot. Bonds5

About 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde

6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde (PubChem CID 83883321) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde
PubChem CID83883321
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde
SMILESCCc1nc(C=O)cc(N(CC)CC)n1
InChIInChI=1S/C11H17N3O/c1-4-10-12-9(8-15)7-11(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3
InChIKeyFUQSQXDIORIZKN-UHFFFAOYSA-N
XLogP1.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.70
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-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde?
The IUPAC name of 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde (CID 83883321) is 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde is CCc1nc(C=O)cc(N(CC)CC)n1.
What is the InChIKey of 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde?
The InChIKey is FUQSQXDIORIZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-10-12-9(8-15)7-11(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde?
6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde has a molecular weight of 207.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2-ethylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 83883321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).