4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde

C7H7ClFN3O — CID 130504832

IUPAC4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NCCF
InChIInChI=1S/C7H7ClFN3O/c8-6-5(3-13)7(10-2-1-9)12-4-11-6/h3-4H,1-2H2,(H,10,11,12)
InChIKeyDNZDCGCRKMFENK-UHFFFAOYSA-N
MW203.60 g/mol
LogP1.32
Rot. Bonds4

About 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde

4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde (PubChem CID 130504832) has the molecular formula C7H7ClFN3O and a molecular weight of 203.60 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde
PubChem CID130504832
Molecular FormulaC7H7ClFN3O
Molecular Weight203.60 g/mol
Exact Mass203.03
IUPAC Name4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NCCF
InChIInChI=1S/C7H7ClFN3O/c8-6-5(3-13)7(10-2-1-9)12-4-11-6/h3-4H,1-2H2,(H,10,11,12)
InChIKeyDNZDCGCRKMFENK-UHFFFAOYSA-N
XLogP1.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 51.32
H-Bond Donors ≤ 51
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 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde (CID 130504832) is 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1NCCF.
What is the InChIKey of 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is DNZDCGCRKMFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3O/c8-6-5(3-13)7(10-2-1-9)12-4-11-6/h3-4H,1-2H2,(H,10,11,12).
What are the key properties of 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde?
4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 203.60 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoroethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 130504832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).