2-morpholin-4-ylpyrimidine-5-carbaldehyde

C9H11N3O2 — CID 3160978

IUPAC2-morpholin-4-ylpyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C9H11N3O2/c13-7-8-5-10-9(11-6-8)12-1-3-14-4-2-12/h5-7H,1-4H2
InChIKeyXDMVIYFKCVJZHK-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.13
Rot. Bonds2

About 2-morpholin-4-ylpyrimidine-5-carbaldehyde

2-morpholin-4-ylpyrimidine-5-carbaldehyde (PubChem CID 3160978) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-morpholin-4-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-morpholin-4-ylpyrimidine-5-carbaldehyde
PubChem CID3160978
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-morpholin-4-ylpyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C9H11N3O2/c13-7-8-5-10-9(11-6-8)12-1-3-14-4-2-12/h5-7H,1-4H2
InChIKeyXDMVIYFKCVJZHK-UHFFFAOYSA-N
XLogP0.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-morpholin-4-ylpyrimidine-5-carbaldehyde (CID 3160978) is 2-morpholin-4-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-morpholin-4-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-morpholin-4-ylpyrimidine-5-carbaldehyde is O=Cc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-morpholin-4-ylpyrimidine-5-carbaldehyde?
The InChIKey is XDMVIYFKCVJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-7-8-5-10-9(11-6-8)12-1-3-14-4-2-12/h5-7H,1-4H2.
What are the key properties of 2-morpholin-4-ylpyrimidine-5-carbaldehyde?
2-morpholin-4-ylpyrimidine-5-carbaldehyde has a molecular weight of 193.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 3160978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).