4-benzyl-6-chloropyrimidine

C11H9ClN2 — CID 22599714

IUPAC4-benzyl-6-chloropyrimidine
SMILESClc1cc(Cc2ccccc2)ncn1
InChIInChI=1S/C11H9ClN2/c12-11-7-10(13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyQSNXFOZZPBHMBT-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.72
Rot. Bonds2

About 4-benzyl-6-chloropyrimidine

4-benzyl-6-chloropyrimidine (PubChem CID 22599714) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 4-benzyl-6-chloropyrimidine.

Molecular Properties

Compound Name4-benzyl-6-chloropyrimidine
PubChem CID22599714
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name4-benzyl-6-chloropyrimidine
SMILESClc1cc(Cc2ccccc2)ncn1
InChIInChI=1S/C11H9ClN2/c12-11-7-10(13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyQSNXFOZZPBHMBT-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-chloropyrimidine?
The IUPAC name of 4-benzyl-6-chloropyrimidine (CID 22599714) is 4-benzyl-6-chloropyrimidine.
What is the SMILES notation for 4-benzyl-6-chloropyrimidine?
The canonical SMILES for 4-benzyl-6-chloropyrimidine is Clc1cc(Cc2ccccc2)ncn1.
What is the InChIKey of 4-benzyl-6-chloropyrimidine?
The InChIKey is QSNXFOZZPBHMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-11-7-10(13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2.
What are the key properties of 4-benzyl-6-chloropyrimidine?
4-benzyl-6-chloropyrimidine has a molecular weight of 204.66 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-chloropyrimidine is sourced from PubChem (CID 22599714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).