2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde

C11H15N3O3 — CID 15349634

IUPAC2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
SMILESCOc1nc(OC)c(C=O)c(N2CCCC2)n1
InChIInChI=1S/C11H15N3O3/c1-16-10-8(7-15)9(12-11(13-10)17-2)14-5-3-4-6-14/h7H,3-6H2,1-2H3
InChIKeyGDAVTJVUESZCES-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.91
Rot. Bonds4

About 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde

2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde (PubChem CID 15349634) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
PubChem CID15349634
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
SMILESCOc1nc(OC)c(C=O)c(N2CCCC2)n1
InChIInChI=1S/C11H15N3O3/c1-16-10-8(7-15)9(12-11(13-10)17-2)14-5-3-4-6-14/h7H,3-6H2,1-2H3
InChIKeyGDAVTJVUESZCES-UHFFFAOYSA-N
XLogP0.91
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde (CID 15349634) is 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde is COc1nc(OC)c(C=O)c(N2CCCC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde?
The InChIKey is GDAVTJVUESZCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-10-8(7-15)9(12-11(13-10)17-2)14-5-3-4-6-14/h7H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde?
2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 15349634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).