4-ethyl-6-methylpyrimidine-2-carbaldehyde

C8H10N2O — CID 116894348

IUPAC4-ethyl-6-methylpyrimidine-2-carbaldehyde
SMILESCCc1cc(C)nc(C=O)n1
InChIInChI=1S/C8H10N2O/c1-3-7-4-6(2)9-8(5-11)10-7/h4-5H,3H2,1-2H3
InChIKeyRQGYVRZAPIOLKS-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.16
Rot. Bonds2

About 4-ethyl-6-methylpyrimidine-2-carbaldehyde

4-ethyl-6-methylpyrimidine-2-carbaldehyde (PubChem CID 116894348) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-ethyl-6-methylpyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-6-methylpyrimidine-2-carbaldehyde
PubChem CID116894348
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4-ethyl-6-methylpyrimidine-2-carbaldehyde
SMILESCCc1cc(C)nc(C=O)n1
InChIInChI=1S/C8H10N2O/c1-3-7-4-6(2)9-8(5-11)10-7/h4-5H,3H2,1-2H3
InChIKeyRQGYVRZAPIOLKS-UHFFFAOYSA-N
XLogP1.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-6-methylpyrimidine-2-carbaldehyde?
The IUPAC name of 4-ethyl-6-methylpyrimidine-2-carbaldehyde (CID 116894348) is 4-ethyl-6-methylpyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-ethyl-6-methylpyrimidine-2-carbaldehyde?
The canonical SMILES for 4-ethyl-6-methylpyrimidine-2-carbaldehyde is CCc1cc(C)nc(C=O)n1.
What is the InChIKey of 4-ethyl-6-methylpyrimidine-2-carbaldehyde?
The InChIKey is RQGYVRZAPIOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-7-4-6(2)9-8(5-11)10-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethyl-6-methylpyrimidine-2-carbaldehyde?
4-ethyl-6-methylpyrimidine-2-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methylpyrimidine-2-carbaldehyde is sourced from PubChem (CID 116894348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).