5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine

C19H17FN4O2S — CID 90313384

IUPAC5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1
InChIInChI=1S/C19H17FN4O2S/c20-17-9-12(6-7-15(17)13-10-23-19(21)24-11-13)16-5-2-8-22-18(16)27(25,26)14-3-1-4-14/h2,5-11,14H,1,3-4H2,(H2,21,23,24)
InChIKeyQJTJZBOAPSHESR-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.25
Rot. Bonds4

About 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine

5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine (PubChem CID 90313384) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
PubChem CID90313384
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1
InChIInChI=1S/C19H17FN4O2S/c20-17-9-12(6-7-15(17)13-10-23-19(21)24-11-13)16-5-2-8-22-18(16)27(25,26)14-3-1-4-14/h2,5-11,14H,1,3-4H2,(H2,21,23,24)
InChIKeyQJTJZBOAPSHESR-UHFFFAOYSA-N
XLogP3.25
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine (CID 90313384) is 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCC3)cc2F)cn1.
What is the InChIKey of 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The InChIKey is QJTJZBOAPSHESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-17-9-12(6-7-15(17)13-10-23-19(21)24-11-13)16-5-2-8-22-18(16)27(25,26)14-3-1-4-14/h2,5-11,14H,1,3-4H2,(H2,21,23,24).
What are the key properties of 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine has a molecular weight of 384.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).