4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine

C15H16Cl2N2 — CID 63405591

IUPAC4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine
SMILESCc1nc(Cc2ccccc2Cl)nc(Cl)c1C(C)C
InChIInChI=1S/C15H16Cl2N2/c1-9(2)14-10(3)18-13(19-15(14)17)8-11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3
InChIKeySSIMKZCVAULOKY-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.81
Rot. Bonds3

About 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine

4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine (PubChem CID 63405591) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine
PubChem CID63405591
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine
SMILESCc1nc(Cc2ccccc2Cl)nc(Cl)c1C(C)C
InChIInChI=1S/C15H16Cl2N2/c1-9(2)14-10(3)18-13(19-15(14)17)8-11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3
InChIKeySSIMKZCVAULOKY-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine (CID 63405591) is 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine is Cc1nc(Cc2ccccc2Cl)nc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine?
The InChIKey is SSIMKZCVAULOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-9(2)14-10(3)18-13(19-15(14)17)8-11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine?
4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine has a molecular weight of 295.21 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63405591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).