4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde

C14H12Cl2N2O — CID 112752525

IUPAC4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde
SMILESCC(C)c1ccc(-c2nc(Cl)c(C=O)c(Cl)n2)cc1
InChIInChI=1S/C14H12Cl2N2O/c1-8(2)9-3-5-10(6-4-9)14-17-12(15)11(7-19)13(16)18-14/h3-8H,1-2H3
InChIKeyMSNPOTQQRCXPAM-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.39
Rot. Bonds3

About 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde

4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde (PubChem CID 112752525) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde
PubChem CID112752525
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde
SMILESCC(C)c1ccc(-c2nc(Cl)c(C=O)c(Cl)n2)cc1
InChIInChI=1S/C14H12Cl2N2O/c1-8(2)9-3-5-10(6-4-9)14-17-12(15)11(7-19)13(16)18-14/h3-8H,1-2H3
InChIKeyMSNPOTQQRCXPAM-UHFFFAOYSA-N
XLogP4.39
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-2-(4-propan-2-ylphenyl)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

Related Compounds

4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
CID 55247364
3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128384
4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline
CID 63497668
5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidine
CID 66292223
4-chloro-2-phenyl-6-propan-2-ylquinazoline
CID 114590616
4-(4-propan-2-ylphenyl)pyrimidine-2-carbaldehyde
CID 83918078
2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612334
2-chloro-3-(4-propan-2-ylphenyl)pyridine
CID 82082322
4-propan-2-ylbenzaldehyde
CID 326
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde (CID 112752525) is 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde is CC(C)c1ccc(-c2nc(Cl)c(C=O)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde?
The InChIKey is MSNPOTQQRCXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8(2)9-3-5-10(6-4-9)14-17-12(15)11(7-19)13(16)18-14/h3-8H,1-2H3.
What are the key properties of 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde?
4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde has a molecular weight of 295.17 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-propan-2-ylphenyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 112752525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).