4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde

C11H12ClN3O — CID 46941489

IUPAC4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(C2CC2)nc1NC1CC1
InChIInChI=1S/C11H12ClN3O/c12-9-8(5-16)11(13-7-3-4-7)15-10(14-9)6-1-2-6/h5-7H,1-4H2,(H,13,14,15)
InChIKeyVXCGWKOWGGTIEC-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.39
Rot. Bonds4

About 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde

4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde (PubChem CID 46941489) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde
PubChem CID46941489
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(C2CC2)nc1NC1CC1
InChIInChI=1S/C11H12ClN3O/c12-9-8(5-16)11(13-7-3-4-7)15-10(14-9)6-1-2-6/h5-7H,1-4H2,(H,13,14,15)
InChIKeyVXCGWKOWGGTIEC-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.39
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-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde (CID 46941489) is 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)nc(C2CC2)nc1NC1CC1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde?
The InChIKey is VXCGWKOWGGTIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-8(5-16)11(13-7-3-4-7)15-10(14-9)6-1-2-6/h5-7H,1-4H2,(H,13,14,15).
What are the key properties of 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde?
4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde has a molecular weight of 237.69 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(cyclopropylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 46941489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).