4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine

C14H14Cl2N2 — CID 54898228

IUPAC4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(Cc2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-3-12-9(2)17-13(18-14(12)16)8-10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyKMFNVDZVOOITSR-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.25
Rot. Bonds3

About 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine

4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine (PubChem CID 54898228) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
PubChem CID54898228
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(Cc2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-3-12-9(2)17-13(18-14(12)16)8-10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyKMFNVDZVOOITSR-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine (CID 54898228) is 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine is CCc1c(C)nc(Cc2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine?
The InChIKey is KMFNVDZVOOITSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-3-12-9(2)17-13(18-14(12)16)8-10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine?
4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine has a molecular weight of 281.19 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 54898228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).