6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

C18H19BrN6O2S2 — CID 122350061

IUPAC6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1
InChIInChI=1S/C18H19BrN6O2S2/c1-13-21-16(23-15-4-2-3-7-20-15)12-17(22-13)24-8-10-25(11-9-24)29(26,27)18-6-5-14(19)28-18/h2-7,12H,8-11H2,1H3,(H,20,21,22,23)
InChIKeyKTDCQCRYOBUUAN-UHFFFAOYSA-N
MW495.43 g/mol
LogP3.26
Rot. Bonds5

About 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 122350061) has the molecular formula C18H19BrN6O2S2 and a molecular weight of 495.43 g/mol. Its IUPAC name is 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID122350061
Molecular FormulaC18H19BrN6O2S2
Molecular Weight495.43 g/mol
Exact Mass494.02
IUPAC Name6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1
InChIInChI=1S/C18H19BrN6O2S2/c1-13-21-16(23-15-4-2-3-7-20-15)12-17(22-13)24-8-10-25(11-9-24)29(26,27)18-6-5-14(19)28-18/h2-7,12H,8-11H2,1H3,(H,20,21,22,23)
InChIKeyKTDCQCRYOBUUAN-UHFFFAOYSA-N
XLogP3.26
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

2-methyl-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350047
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350054
6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350055
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122349853
4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 122332434
2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350088
1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 122350100
(2-bromophenyl)-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350122
4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 122348515
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
2-cyclopentyl-1-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349902

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (CID 122350061) is 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1.
What is the InChIKey of 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is KTDCQCRYOBUUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6O2S2/c1-13-21-16(23-15-4-2-3-7-20-15)12-17(22-13)24-8-10-25(11-9-24)29(26,27)18-6-5-14(19)28-18/h2-7,12H,8-11H2,1H3,(H,20,21,22,23).
What are the key properties of 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 495.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122350061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).