2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde

C13H18N2O2 — CID 87815027

IUPAC2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
SMILESCOc1nc(C2CC2)nc(CC(C)C)c1C=O
InChIInChI=1S/C13H18N2O2/c1-8(2)6-11-10(7-16)13(17-3)15-12(14-11)9-4-5-9/h7-9H,4-6H2,1-3H3
InChIKeyLWRJECQWGYFUDB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.37
Rot. Bonds5

About 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde

2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde (PubChem CID 87815027) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
PubChem CID87815027
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
SMILESCOc1nc(C2CC2)nc(CC(C)C)c1C=O
InChIInChI=1S/C13H18N2O2/c1-8(2)6-11-10(7-16)13(17-3)15-12(14-11)9-4-5-9/h7-9H,4-6H2,1-3H3
InChIKeyLWRJECQWGYFUDB-UHFFFAOYSA-N
XLogP2.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.37
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 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde (CID 87815027) is 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde is COc1nc(C2CC2)nc(CC(C)C)c1C=O.
What is the InChIKey of 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde?
The InChIKey is LWRJECQWGYFUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)6-11-10(7-16)13(17-3)15-12(14-11)9-4-5-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde?
2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 87815027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).