2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine

C13H13ClN2 — CID 79073426

IUPAC2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine
SMILESCc1cc(C)cc(-c2nc(Cl)ncc2C)c1
InChIInChI=1S/C13H13ClN2/c1-8-4-9(2)6-11(5-8)12-10(3)7-15-13(14)16-12/h4-7H,1-3H3
InChIKeyZLCCMPMMHPDVSV-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.72
Rot. Bonds1

About 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine

2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine (PubChem CID 79073426) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine
PubChem CID79073426
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine
SMILESCc1cc(C)cc(-c2nc(Cl)ncc2C)c1
InChIInChI=1S/C13H13ClN2/c1-8-4-9(2)6-11(5-8)12-10(3)7-15-13(14)16-12/h4-7H,1-3H3
InChIKeyZLCCMPMMHPDVSV-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine (CID 79073426) is 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine is Cc1cc(C)cc(-c2nc(Cl)ncc2C)c1.
What is the InChIKey of 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine?
The InChIKey is ZLCCMPMMHPDVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-8-4-9(2)6-11(5-8)12-10(3)7-15-13(14)16-12/h4-7H,1-3H3.
What are the key properties of 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine?
2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine has a molecular weight of 232.71 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine is sourced from PubChem (CID 79073426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).