4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine

C14H14Cl2N2 — CID 55247364

IUPAC4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
SMILESCc1ccc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cc1
InChIInChI=1S/C14H14Cl2N2/c1-8(2)11-12(15)17-14(18-13(11)16)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKeyJIBUGYFXIHBQLY-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.88
Rot. Bonds2

About 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine

4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine (PubChem CID 55247364) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
PubChem CID55247364
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
SMILESCc1ccc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cc1
InChIInChI=1S/C14H14Cl2N2/c1-8(2)11-12(15)17-14(18-13(11)16)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKeyJIBUGYFXIHBQLY-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine 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 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine (CID 55247364) is 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine is Cc1ccc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine?
The InChIKey is JIBUGYFXIHBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-8(2)11-12(15)17-14(18-13(11)16)10-6-4-9(3)5-7-10/h4-8H,1-3H3.
What are the key properties of 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine?
4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine has a molecular weight of 281.19 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55247364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).