4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine

C18H15Cl2N3O — CID 14458719

IUPAC4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2cccc(Oc3ccccc3Cl)n2)n1
InChIInChI=1S/C18H15Cl2N3O/c1-2-6-12-11-16(20)23-18(21-12)14-8-5-10-17(22-14)24-15-9-4-3-7-13(15)19/h3-5,7-11H,2,6H2,1H3
InChIKeyVHVJUZTZFJGBIM-UHFFFAOYSA-N
MW360.24 g/mol
LogP5.59
Rot. Bonds5

About 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine

4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine (PubChem CID 14458719) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine
PubChem CID14458719
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2cccc(Oc3ccccc3Cl)n2)n1
InChIInChI=1S/C18H15Cl2N3O/c1-2-6-12-11-16(20)23-18(21-12)14-8-5-10-17(22-14)24-15-9-4-3-7-13(15)19/h3-5,7-11H,2,6H2,1H3
InChIKeyVHVJUZTZFJGBIM-UHFFFAOYSA-N
XLogP5.59
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine (CID 14458719) is 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2cccc(Oc3ccccc3Cl)n2)n1.
What is the InChIKey of 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine?
The InChIKey is VHVJUZTZFJGBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-2-6-12-11-16(20)23-18(21-12)14-8-5-10-17(22-14)24-15-9-4-3-7-13(15)19/h3-5,7-11H,2,6H2,1H3.
What are the key properties of 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine?
4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine has a molecular weight of 360.24 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[6-(2-chlorophenoxy)-2-pyridinyl]-6-propylpyrimidine is sourced from PubChem (CID 14458719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).