5-benzyl-4-chloro-2-methylpyrimidine

C12H11ClN2 — CID 117260664

IUPAC5-benzyl-4-chloro-2-methylpyrimidine
SMILESCc1ncc(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C12H11ClN2/c1-9-14-8-11(12(13)15-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyPXZHDDZZDAEKNA-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.03
Rot. Bonds2

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

5-benzyl-4-chloro-2-methylpyrimidine (PubChem CID 117260664) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 5-benzyl-4-chloro-2-methylpyrimidine.

Molecular Properties

Compound Name5-benzyl-4-chloro-2-methylpyrimidine
PubChem CID117260664
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name5-benzyl-4-chloro-2-methylpyrimidine
SMILESCc1ncc(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C12H11ClN2/c1-9-14-8-11(12(13)15-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyPXZHDDZZDAEKNA-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-chloro-2-methylpyrimidine?
The IUPAC name of 5-benzyl-4-chloro-2-methylpyrimidine (CID 117260664) is 5-benzyl-4-chloro-2-methylpyrimidine.
What is the SMILES notation for 5-benzyl-4-chloro-2-methylpyrimidine?
The canonical SMILES for 5-benzyl-4-chloro-2-methylpyrimidine is Cc1ncc(Cc2ccccc2)c(Cl)n1.
What is the InChIKey of 5-benzyl-4-chloro-2-methylpyrimidine?
The InChIKey is PXZHDDZZDAEKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9-14-8-11(12(13)15-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 5-benzyl-4-chloro-2-methylpyrimidine?
5-benzyl-4-chloro-2-methylpyrimidine has a molecular weight of 218.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-chloro-2-methylpyrimidine is sourced from PubChem (CID 117260664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).