4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine

C13H11Cl2FN2 — CID 63034218

IUPAC4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
SMILESCc1nc(Cc2ccc(F)cc2Cl)nc(Cl)c1C
InChIInChI=1S/C13H11Cl2FN2/c1-7-8(2)17-12(18-13(7)15)5-9-3-4-10(16)6-11(9)14/h3-4,6H,5H2,1-2H3
InChIKeyGKALPHHIFCHVJQ-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.13
Rot. Bonds2

About 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine

4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine (PubChem CID 63034218) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
PubChem CID63034218
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
SMILESCc1nc(Cc2ccc(F)cc2Cl)nc(Cl)c1C
InChIInChI=1S/C13H11Cl2FN2/c1-7-8(2)17-12(18-13(7)15)5-9-3-4-10(16)6-11(9)14/h3-4,6H,5H2,1-2H3
InChIKeyGKALPHHIFCHVJQ-UHFFFAOYSA-N
XLogP4.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine 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

2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307299
4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine
CID 64559256
2-[(2-chloro-4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 63038273
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine
CID 63355073
[2-[(2,4-difluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 64559876
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302862
1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 64561232
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191498
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine (CID 63034218) is 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine is Cc1nc(Cc2ccc(F)cc2Cl)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The InChIKey is GKALPHHIFCHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-7-8(2)17-12(18-13(7)15)5-9-3-4-10(16)6-11(9)14/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine has a molecular weight of 285.15 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 63034218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).