2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine

C12H10ClFN2 — CID 66000630

IUPAC2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1nc(Cc2ccccc2)nc(Cl)c1F
InChIInChI=1S/C12H10ClFN2/c1-8-11(14)12(13)16-10(15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyJOYODRINOYHEGM-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.17
Rot. Bonds2

About 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine

2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine (PubChem CID 66000630) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
PubChem CID66000630
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1nc(Cc2ccccc2)nc(Cl)c1F
InChIInChI=1S/C12H10ClFN2/c1-8-11(14)12(13)16-10(15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyJOYODRINOYHEGM-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine?
The IUPAC name of 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine (CID 66000630) is 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine is Cc1nc(Cc2ccccc2)nc(Cl)c1F.
What is the InChIKey of 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine?
The InChIKey is JOYODRINOYHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-8-11(14)12(13)16-10(15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine?
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine has a molecular weight of 236.68 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66000630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).