5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine

C21H21FN4O2S — CID 90313065

IUPAC5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1
InChIInChI=1S/C21H21FN4O2S/c22-19-12-15(8-9-17(19)16-13-24-21(23)25-14-16)18-6-2-3-7-20(18)29(27,28)26-10-4-1-5-11-26/h2-3,6-9,12-14H,1,4-5,10-11H2,(H2,23,24,25)
InChIKeyIQICGENFDKJJOO-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.71
Rot. Bonds4

About 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine

5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine (PubChem CID 90313065) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
PubChem CID90313065
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC Name5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1
InChIInChI=1S/C21H21FN4O2S/c22-19-12-15(8-9-17(19)16-13-24-21(23)25-14-16)18-6-2-3-7-20(18)29(27,28)26-10-4-1-5-11-26/h2-3,6-9,12-14H,1,4-5,10-11H2,(H2,23,24,25)
InChIKeyIQICGENFDKJJOO-UHFFFAOYSA-N
XLogP3.71
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine 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 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine (CID 90313065) is 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The InChIKey is IQICGENFDKJJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c22-19-12-15(8-9-17(19)16-13-24-21(23)25-14-16)18-6-2-3-7-20(18)29(27,28)26-10-4-1-5-11-26/h2-3,6-9,12-14H,1,4-5,10-11H2,(H2,23,24,25).
What are the key properties of 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine has a molecular weight of 412.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).