4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde

C9H10ClN3O2 — CID 3406180

IUPAC4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1N1CCOCC1
InChIInChI=1S/C9H10ClN3O2/c10-8-7(5-14)9(12-6-11-8)13-1-3-15-4-2-13/h5-6H,1-4H2
InChIKeyYGFLPSPKKFXHHX-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.78
Rot. Bonds2

About 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde

4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde (PubChem CID 3406180) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde
PubChem CID3406180
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1N1CCOCC1
InChIInChI=1S/C9H10ClN3O2/c10-8-7(5-14)9(12-6-11-8)13-1-3-15-4-2-13/h5-6H,1-4H2
InChIKeyYGFLPSPKKFXHHX-UHFFFAOYSA-N
XLogP0.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.78
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 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde (CID 3406180) is 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1N1CCOCC1.
What is the InChIKey of 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde?
The InChIKey is YGFLPSPKKFXHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-8-7(5-14)9(12-6-11-8)13-1-3-15-4-2-13/h5-6H,1-4H2.
What are the key properties of 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde?
4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde has a molecular weight of 227.65 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 3406180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).