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

C13H11Cl2FN2 — CID 63024195

IUPAC4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
SMILESCc1nc(Cc2c(F)cccc2Cl)nc(Cl)c1C
InChIInChI=1S/C13H11Cl2FN2/c1-7-8(2)17-12(18-13(7)15)6-9-10(14)4-3-5-11(9)16/h3-5H,6H2,1-2H3
InChIKeyKBZQYMHOMGSDAZ-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.13
Rot. Bonds2

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

4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine (PubChem CID 63024195) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
PubChem CID63024195
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
SMILESCc1nc(Cc2c(F)cccc2Cl)nc(Cl)c1C
InChIInChI=1S/C13H11Cl2FN2/c1-7-8(2)17-12(18-13(7)15)6-9-10(14)4-3-5-11(9)16/h3-5H,6H2,1-2H3
InChIKeyKBZQYMHOMGSDAZ-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

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 63023707
2-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305117
2-[(2-chloro-6-fluorophenyl)methyl]-4-(chloromethyl)-6-methylpyrimidine
CID 63024051
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 63024377
1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 63022672
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63034218
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine
CID 66293688
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63485964
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine
CID 66316635
2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63022494
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3,5,6-trimethylpyrimidin-4-one
CID 7364280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine (CID 63024195) is 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine is Cc1nc(Cc2c(F)cccc2Cl)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
The InChIKey is KBZQYMHOMGSDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-7-8(2)17-12(18-13(7)15)6-9-10(14)4-3-5-11(9)16/h3-5H,6H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine?
4-chloro-2-[(2-chloro-6-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-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 63024195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).