4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine

C15H15ClN2 — CID 116506889

IUPAC4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C15H15ClN2/c1-10-17-14(9-15(16)18-10)13-7-5-12(6-8-13)11-3-2-4-11/h5-9,11H,2-4H2,1H3
InChIKeyWZXOMOJVSYBEAZ-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.37
Rot. Bonds2

About 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine

4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine (PubChem CID 116506889) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine
PubChem CID116506889
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C15H15ClN2/c1-10-17-14(9-15(16)18-10)13-7-5-12(6-8-13)11-3-2-4-11/h5-9,11H,2-4H2,1H3
InChIKeyWZXOMOJVSYBEAZ-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine (CID 116506889) is 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine is Cc1nc(Cl)cc(-c2ccc(C3CCC3)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine?
The InChIKey is WZXOMOJVSYBEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-10-17-14(9-15(16)18-10)13-7-5-12(6-8-13)11-3-2-4-11/h5-9,11H,2-4H2,1H3.
What are the key properties of 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine?
4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine has a molecular weight of 258.75 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine is sourced from PubChem (CID 116506889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).