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

C12H17N3O3 — CID 15349635

IUPAC2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde
SMILESCOc1nc(OC)c(C=O)c(N2CCCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-17-11-9(8-16)10(13-12(14-11)18-2)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3
InChIKeyGOFMQHIUQHUNBE-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.30
Rot. Bonds4

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

2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde (PubChem CID 15349635) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde
PubChem CID15349635
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde
SMILESCOc1nc(OC)c(C=O)c(N2CCCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-17-11-9(8-16)10(13-12(14-11)18-2)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3
InChIKeyGOFMQHIUQHUNBE-UHFFFAOYSA-N
XLogP1.30
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.30
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-piperidin-1-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde (CID 15349635) is 2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde is COc1nc(OC)c(C=O)c(N2CCCCC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
The InChIKey is GOFMQHIUQHUNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11-9(8-16)10(13-12(14-11)18-2)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
2,4-dimethoxy-6-piperidin-1-ylpyrimidine-5-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 1.30, 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-piperidin-1-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 15349635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).