4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde

C8H8ClN3O — CID 66366936

IUPAC4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NC1CC1
InChIInChI=1S/C8H8ClN3O/c9-7-6(3-13)8(11-4-10-7)12-5-1-2-5/h3-5H,1-2H2,(H,10,11,12)
InChIKeyJEVIAAKEQXUYNL-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.52
Rot. Bonds3

About 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde

4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde (PubChem CID 66366936) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde
PubChem CID66366936
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NC1CC1
InChIInChI=1S/C8H8ClN3O/c9-7-6(3-13)8(11-4-10-7)12-5-1-2-5/h3-5H,1-2H2,(H,10,11,12)
InChIKeyJEVIAAKEQXUYNL-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.52
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-(cyclopropylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde (CID 66366936) is 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1NC1CC1.
What is the InChIKey of 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde?
The InChIKey is JEVIAAKEQXUYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-7-6(3-13)8(11-4-10-7)12-5-1-2-5/h3-5H,1-2H2,(H,10,11,12).
What are the key properties of 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde?
4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde has a molecular weight of 197.62 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclopropylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66366936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).