2,4-bis(4-chlorophenoxy)-5-methylpyrimidine

C17H12Cl2N2O2 — CID 3008445

IUPAC2,4-bis(4-chlorophenoxy)-5-methylpyrimidine
SMILESCc1cnc(Oc2ccc(Cl)cc2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2/c1-11-10-20-17(23-15-8-4-13(19)5-9-15)21-16(11)22-14-6-2-12(18)3-7-14/h2-10H,1H3
InChIKeyVSSOZSMQPVGFET-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.68
Rot. Bonds4

About 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine

2,4-bis(4-chlorophenoxy)-5-methylpyrimidine (PubChem CID 3008445) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2,4-bis(4-chlorophenoxy)-5-methylpyrimidine
PubChem CID3008445
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name2,4-bis(4-chlorophenoxy)-5-methylpyrimidine
SMILESCc1cnc(Oc2ccc(Cl)cc2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2/c1-11-10-20-17(23-15-8-4-13(19)5-9-15)21-16(11)22-14-6-2-12(18)3-7-14/h2-10H,1H3
InChIKeyVSSOZSMQPVGFET-UHFFFAOYSA-N
XLogP5.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine?
The IUPAC name of 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine (CID 3008445) is 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine.
What is the SMILES notation for 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine?
The canonical SMILES for 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine is Cc1cnc(Oc2ccc(Cl)cc2)nc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine?
The InChIKey is VSSOZSMQPVGFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-11-10-20-17(23-15-8-4-13(19)5-9-15)21-16(11)22-14-6-2-12(18)3-7-14/h2-10H,1H3.
What are the key properties of 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine?
2,4-bis(4-chlorophenoxy)-5-methylpyrimidine has a molecular weight of 347.20 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chlorophenoxy)-5-methylpyrimidine is sourced from PubChem (CID 3008445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).