2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile

C17H10ClN3O — CID 929341

IUPAC2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H10ClN3O/c18-13-6-8-15(9-7-13)22-17-20-14(11-19)10-16(21-17)12-4-2-1-3-5-12/h1-10H
InChIKeyPUEDVHMLVSIAOO-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.46
Rot. Bonds3

About 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile

2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile (PubChem CID 929341) has the molecular formula C17H10ClN3O and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile
PubChem CID929341
Molecular FormulaC17H10ClN3O
Molecular Weight307.74 g/mol
Exact Mass307.05
IUPAC Name2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H10ClN3O/c18-13-6-8-15(9-7-13)22-17-20-14(11-19)10-16(21-17)12-4-2-1-3-5-12/h1-10H
InChIKeyPUEDVHMLVSIAOO-UHFFFAOYSA-N
XLogP4.46
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile (CID 929341) is 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile?
The InChIKey is PUEDVHMLVSIAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O/c18-13-6-8-15(9-7-13)22-17-20-14(11-19)10-16(21-17)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile?
2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile has a molecular weight of 307.74 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile is sourced from PubChem (CID 929341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).