6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

C19H19FN6O2S — CID 122349016

IUPAC6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C19H19FN6O2S/c20-15-4-3-5-16(12-15)29(27,28)26-10-8-25(9-11-26)19-13-18(22-14-23-19)24-17-6-1-2-7-21-17/h1-7,12-14H,8-11H2,(H,21,22,23,24)
InChIKeyCCKLKWGLPNCDFV-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.27
Rot. Bonds5

About 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 122349016) has the molecular formula C19H19FN6O2S and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID122349016
Molecular FormulaC19H19FN6O2S
Molecular Weight414.47 g/mol
Exact Mass414.13
IUPAC Name6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C19H19FN6O2S/c20-15-4-3-5-16(12-15)29(27,28)26-10-8-25(9-11-26)19-13-18(22-14-23-19)24-17-6-1-2-7-21-17/h1-7,12-14H,8-11H2,(H,21,22,23,24)
InChIKeyCCKLKWGLPNCDFV-UHFFFAOYSA-N
XLogP2.27
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349223
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349017
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349232
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349411
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 50946302
6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349013
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122349853
6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349263
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350054
6-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347522
(2-fluorophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348922

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 122349016) is 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is O=S(=O)(c1cccc(F)c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1.
What is the InChIKey of 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is CCKLKWGLPNCDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2S/c20-15-4-3-5-16(12-15)29(27,28)26-10-8-25(9-11-26)19-13-18(22-14-23-19)24-17-6-1-2-7-21-17/h1-7,12-14H,8-11H2,(H,21,22,23,24).
What are the key properties of 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 414.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122349016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).