4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile

C12H7Cl2N3O — CID 911258

IUPAC4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile
SMILESCc1cc(Oc2ccc(Cl)cc2Cl)nc(C#N)n1
InChIInChI=1S/C12H7Cl2N3O/c1-7-4-12(17-11(6-15)16-7)18-10-3-2-8(13)5-9(10)14/h2-5H,1H3
InChIKeyCBNWFZKXZONGKZ-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.76
Rot. Bonds2

About 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile

4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile (PubChem CID 911258) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile
PubChem CID911258
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile
SMILESCc1cc(Oc2ccc(Cl)cc2Cl)nc(C#N)n1
InChIInChI=1S/C12H7Cl2N3O/c1-7-4-12(17-11(6-15)16-7)18-10-3-2-8(13)5-9(10)14/h2-5H,1H3
InChIKeyCBNWFZKXZONGKZ-UHFFFAOYSA-N
XLogP3.76
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile (CID 911258) is 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile is Cc1cc(Oc2ccc(Cl)cc2Cl)nc(C#N)n1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile?
The InChIKey is CBNWFZKXZONGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c1-7-4-12(17-11(6-15)16-7)18-10-3-2-8(13)5-9(10)14/h2-5H,1H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile?
4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile has a molecular weight of 280.11 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile is sourced from PubChem (CID 911258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).