4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine

C16H12ClFN4 — CID 70702128

IUPAC4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl
InChIInChI=1S/C16H12ClFN4/c17-12-8-4-5-9-14(12)21-15-13(18)10-19-16(22-15)20-11-6-2-1-3-7-11/h1-10H,(H2,19,20,21,22)
InChIKeyWDVBUDQGXBFWKL-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.76
Rot. Bonds4

About 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 70702128) has the molecular formula C16H12ClFN4 and a molecular weight of 314.75 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine
PubChem CID70702128
Molecular FormulaC16H12ClFN4
Molecular Weight314.75 g/mol
Exact Mass314.07
IUPAC Name4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl
InChIInChI=1S/C16H12ClFN4/c17-12-8-4-5-9-14(12)21-15-13(18)10-19-16(22-15)20-11-6-2-1-3-7-11/h1-10H,(H2,19,20,21,22)
InChIKeyWDVBUDQGXBFWKL-UHFFFAOYSA-N
XLogP4.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine 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-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine (CID 70702128) is 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine is Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl.
What is the InChIKey of 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is WDVBUDQGXBFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4/c17-12-8-4-5-9-14(12)21-15-13(18)10-19-16(22-15)20-11-6-2-1-3-7-11/h1-10H,(H2,19,20,21,22).
What are the key properties of 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 314.75 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-5-fluoro-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 70702128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).