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

C19H19FN4O2S — CID 90313358

IUPAC5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESCCC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C19H19FN4O2S/c1-3-12(2)27(25,26)18-16(5-4-8-22-18)13-6-7-15(17(20)9-13)14-10-23-19(21)24-11-14/h4-12H,3H2,1-2H3,(H2,21,23,24)
InChIKeyOFYXVJGDRQGTHV-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.50
Rot. Bonds5

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

5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine (PubChem CID 90313358) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
PubChem CID90313358
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESCCC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C19H19FN4O2S/c1-3-12(2)27(25,26)18-16(5-4-8-22-18)13-6-7-15(17(20)9-13)14-10-23-19(21)24-11-14/h4-12H,3H2,1-2H3,(H2,21,23,24)
InChIKeyOFYXVJGDRQGTHV-UHFFFAOYSA-N
XLogP3.50
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine (CID 90313358) is 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine is CCC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The InChIKey is OFYXVJGDRQGTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-3-12(2)27(25,26)18-16(5-4-8-22-18)13-6-7-15(17(20)9-13)14-10-23-19(21)24-11-14/h4-12H,3H2,1-2H3,(H2,21,23,24).
What are the key properties of 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine has a molecular weight of 386.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-butan-2-ylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).