4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine

C13H13ClN2 — CID 10752079

IUPAC4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine
SMILESCCc1nc(-c2ccccc2)nc(Cl)c1C
InChIInChI=1S/C13H13ClN2/c1-3-11-9(2)12(14)16-13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeySJRSWOSTRPJVCN-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine

4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine (PubChem CID 10752079) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine
PubChem CID10752079
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine
SMILESCCc1nc(-c2ccccc2)nc(Cl)c1C
InChIInChI=1S/C13H13ClN2/c1-3-11-9(2)12(14)16-13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeySJRSWOSTRPJVCN-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine (CID 10752079) is 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine is CCc1nc(-c2ccccc2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine?
The InChIKey is SJRSWOSTRPJVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-3-11-9(2)12(14)16-13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine?
4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine has a molecular weight of 232.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-methyl-2-phenylpyrimidine is sourced from PubChem (CID 10752079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).