2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde

C11H15ClN4O — CID 102389137

IUPAC2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde
SMILESNc1nc(Cl)c(C=O)c(NC2CCCCC2)n1
InChIInChI=1S/C11H15ClN4O/c12-9-8(6-17)10(16-11(13)15-9)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,13,14,15,16)
InChIKeyCDKQHCDUMOJUGB-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde

2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde (PubChem CID 102389137) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde
PubChem CID102389137
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde
SMILESNc1nc(Cl)c(C=O)c(NC2CCCCC2)n1
InChIInChI=1S/C11H15ClN4O/c12-9-8(6-17)10(16-11(13)15-9)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,13,14,15,16)
InChIKeyCDKQHCDUMOJUGB-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde (CID 102389137) is 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde is Nc1nc(Cl)c(C=O)c(NC2CCCCC2)n1.
What is the InChIKey of 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde?
The InChIKey is CDKQHCDUMOJUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c12-9-8(6-17)10(16-11(13)15-9)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,13,14,15,16).
What are the key properties of 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde?
2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde has a molecular weight of 254.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-(cyclohexylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 102389137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).