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

C19H19FN4O2S — CID 90313447

IUPAC5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESCC(C)(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C19H19FN4O2S/c1-19(2,3)27(25,26)17-15(5-4-8-22-17)12-6-7-14(16(20)9-12)13-10-23-18(21)24-11-13/h4-11H,1-3H3,(H2,21,23,24)
InChIKeyHAIZIWZEBWDWPF-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.50
Rot. Bonds3

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

5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine (PubChem CID 90313447) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
PubChem CID90313447
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine
SMILESCC(C)(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C19H19FN4O2S/c1-19(2,3)27(25,26)17-15(5-4-8-22-17)12-6-7-14(16(20)9-12)13-10-23-18(21)24-11-13/h4-11H,1-3H3,(H2,21,23,24)
InChIKeyHAIZIWZEBWDWPF-UHFFFAOYSA-N
XLogP3.50
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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

Analyze 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]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-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine (CID 90313447) is 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine is CC(C)(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
The InChIKey is HAIZIWZEBWDWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-19(2,3)27(25,26)17-15(5-4-8-22-17)12-6-7-14(16(20)9-12)13-10-23-18(21)24-11-13/h4-11H,1-3H3,(H2,21,23,24).
What are the key properties of 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine?
5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine has a molecular weight of 386.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-tert-butylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).