4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine

C15H17ClN2 — CID 63549645

IUPAC4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(-c2cc(C)cc(C)c2)nc(Cl)c1C
InChIInChI=1S/C15H17ClN2/c1-5-13-11(4)14(16)18-15(17-13)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3
InChIKeyLTLKWCIPHPHBQY-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.28
Rot. Bonds2

About 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine

4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine (PubChem CID 63549645) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
PubChem CID63549645
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(-c2cc(C)cc(C)c2)nc(Cl)c1C
InChIInChI=1S/C15H17ClN2/c1-5-13-11(4)14(16)18-15(17-13)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3
InChIKeyLTLKWCIPHPHBQY-UHFFFAOYSA-N
XLogP4.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine (CID 63549645) is 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine is CCc1nc(-c2cc(C)cc(C)c2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine?
The InChIKey is LTLKWCIPHPHBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-5-13-11(4)14(16)18-15(17-13)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3.
What are the key properties of 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine?
4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine has a molecular weight of 260.77 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 63549645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).