5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine

C20H20FN5O2S — CID 90313360

IUPAC5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNCC3)cc2F)cn1
InChIInChI=1S/C20H20FN5O2S/c21-18-10-13(3-4-16(18)14-11-25-20(22)26-12-14)17-2-1-7-24-19(17)29(27,28)15-5-8-23-9-6-15/h1-4,7,10-12,15,23H,5-6,8-9H2,(H2,22,25,26)
InChIKeyAIJJGIKPPHUFSJ-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.45
Rot. Bonds4

About 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine

5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine (PubChem CID 90313360) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine
PubChem CID90313360
Molecular FormulaC20H20FN5O2S
Molecular Weight413.48 g/mol
Exact Mass413.13
IUPAC Name5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNCC3)cc2F)cn1
InChIInChI=1S/C20H20FN5O2S/c21-18-10-13(3-4-16(18)14-11-25-20(22)26-12-14)17-2-1-7-24-19(17)29(27,28)15-5-8-23-9-6-15/h1-4,7,10-12,15,23H,5-6,8-9H2,(H2,22,25,26)
InChIKeyAIJJGIKPPHUFSJ-UHFFFAOYSA-N
XLogP2.45
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)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-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine (CID 90313360) is 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine?
The InChIKey is AIJJGIKPPHUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c21-18-10-13(3-4-16(18)14-11-25-20(22)26-12-14)17-2-1-7-24-19(17)29(27,28)15-5-8-23-9-6-15/h1-4,7,10-12,15,23H,5-6,8-9H2,(H2,22,25,26).
What are the key properties of 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine has a molecular weight of 413.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-piperidin-4-ylsulfonyl-3-pyridinyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).