4,6-dichloro-2-methyl-5-phenylpyrimidine

C11H8Cl2N2 — CID 617274

IUPAC4,6-dichloro-2-methyl-5-phenylpyrimidine
SMILESCc1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H8Cl2N2/c1-7-14-10(12)9(11(13)15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyMJIRECIIDKZUGR-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.76
Rot. Bonds1

About 4,6-dichloro-2-methyl-5-phenylpyrimidine

4,6-dichloro-2-methyl-5-phenylpyrimidine (PubChem CID 617274) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-5-phenylpyrimidine
PubChem CID617274
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name4,6-dichloro-2-methyl-5-phenylpyrimidine
SMILESCc1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H8Cl2N2/c1-7-14-10(12)9(11(13)15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyMJIRECIIDKZUGR-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-5-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-2-methyl-5-phenylpyrimidine (CID 617274) is 4,6-dichloro-2-methyl-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methyl-5-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-methyl-5-phenylpyrimidine is Cc1nc(Cl)c(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methyl-5-phenylpyrimidine?
The InChIKey is MJIRECIIDKZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c1-7-14-10(12)9(11(13)15-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4,6-dichloro-2-methyl-5-phenylpyrimidine?
4,6-dichloro-2-methyl-5-phenylpyrimidine has a molecular weight of 239.11 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-5-phenylpyrimidine is sourced from PubChem (CID 617274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).