N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine

C24H23FN6O2S2 — CID 122632220

IUPACN-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(F)cc4)cc(-c4nccs4)n3)CC2)cc1
InChIInChI=1S/C24H23FN6O2S2/c1-17-2-8-20(9-3-17)35(32,33)31-13-11-30(12-14-31)24-28-21(23-26-10-15-34-23)16-22(29-24)27-19-6-4-18(25)5-7-19/h2-10,15-16H,11-14H2,1H3,(H,27,28,29)
InChIKeyABGSWBIIMQPZEK-UHFFFAOYSA-N
MW510.62 g/mol
LogP4.30
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine

N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 122632220) has the molecular formula C24H23FN6O2S2 and a molecular weight of 510.62 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID122632220
Molecular FormulaC24H23FN6O2S2
Molecular Weight510.62 g/mol
Exact Mass510.13
IUPAC NameN-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(F)cc4)cc(-c4nccs4)n3)CC2)cc1
InChIInChI=1S/C24H23FN6O2S2/c1-17-2-8-20(9-3-17)35(32,33)31-13-11-30(12-14-31)24-28-21(23-26-10-15-34-23)16-22(29-24)27-19-6-4-18(25)5-7-19/h2-10,15-16H,11-14H2,1H3,(H,27,28,29)
InChIKeyABGSWBIIMQPZEK-UHFFFAOYSA-N
XLogP4.30
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 122624212
4-[[2-[4-(4-fluorophenyl)sulfanylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]benzonitrile
CID 145171464
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346510
6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
CID 134410110
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 156784282
6-methyl-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 22585381
N-(4-fluorophenyl)-2-[4-(4-pentoxyphenyl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 122632232
methyl 2-[3-[4-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylphenyl]acetate
CID 122624117
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 53093477
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 27653130
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 44826804

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 122632220) is N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(F)cc4)cc(-c4nccs4)n3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is ABGSWBIIMQPZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2S2/c1-17-2-8-20(9-3-17)35(32,33)31-13-11-30(12-14-31)24-28-21(23-26-10-15-34-23)16-22(29-24)27-19-6-4-18(25)5-7-19/h2-10,15-16H,11-14H2,1H3,(H,27,28,29).
What are the key properties of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 510.62 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 122632220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).