4,6-dichloro-2-(2-ethylphenyl)pyrimidine

C12H10Cl2N2 — CID 63612271

IUPAC4,6-dichloro-2-(2-ethylphenyl)pyrimidine
SMILESCCc1ccccc1-c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c1-2-8-5-3-4-6-9(8)12-15-10(13)7-11(14)16-12/h3-7H,2H2,1H3
InChIKeyLGJRJLCPRNJGLL-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.01
Rot. Bonds2

About 4,6-dichloro-2-(2-ethylphenyl)pyrimidine

4,6-dichloro-2-(2-ethylphenyl)pyrimidine (PubChem CID 63612271) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-ethylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-ethylphenyl)pyrimidine
PubChem CID63612271
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4,6-dichloro-2-(2-ethylphenyl)pyrimidine
SMILESCCc1ccccc1-c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c1-2-8-5-3-4-6-9(8)12-15-10(13)7-11(14)16-12/h3-7H,2H2,1H3
InChIKeyLGJRJLCPRNJGLL-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-2-(2-ethylphenyl)pyrimidine 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-(2-ethylphenyl)-5-methylpyrimidine
CID 55217796
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole
CID 84675722
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
CID 114590545
1,2-dichloro-4-(2-ethylphenyl)benzene
CID 67818201
4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine
CID 88943269
5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline
CID 114591241
6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 63354241
6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66298113
4-(2-ethoxypropan-2-yl)-2-(2-ethylphenyl)-6-methylpyrimidine
CID 123505230

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-ethylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-ethylphenyl)pyrimidine (CID 63612271) is 4,6-dichloro-2-(2-ethylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-ethylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-ethylphenyl)pyrimidine is CCc1ccccc1-c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2-ethylphenyl)pyrimidine?
The InChIKey is LGJRJLCPRNJGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-2-8-5-3-4-6-9(8)12-15-10(13)7-11(14)16-12/h3-7H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-(2-ethylphenyl)pyrimidine?
4,6-dichloro-2-(2-ethylphenyl)pyrimidine has a molecular weight of 253.13 g/mol, XLogP of 4.01, 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-(2-ethylphenyl)pyrimidine is sourced from PubChem (CID 63612271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).