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

C9H13N3O — CID 83875123

IUPAC6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde
SMILESCCc1nc(C=O)cc(N(C)C)n1
InChIInChI=1S/C9H13N3O/c1-4-8-10-7(6-13)5-9(11-8)12(2)3/h5-6H,4H2,1-3H3
InChIKeyNEKBRTYOZXJGLI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds3

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

6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde (PubChem CID 83875123) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde
PubChem CID83875123
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde
SMILESCCc1nc(C=O)cc(N(C)C)n1
InChIInChI=1S/C9H13N3O/c1-4-8-10-7(6-13)5-9(11-8)12(2)3/h5-6H,4H2,1-3H3
InChIKeyNEKBRTYOZXJGLI-UHFFFAOYSA-N
XLogP0.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.92
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-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde?
The IUPAC name of 6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde (CID 83875123) is 6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde is CCc1nc(C=O)cc(N(C)C)n1.
What is the InChIKey of 6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde?
The InChIKey is NEKBRTYOZXJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-8-10-7(6-13)5-9(11-8)12(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde?
6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 83875123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).