2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

C24H29N5O4S — CID 122549460

IUPAC2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(C)c(OC)c4)CC3)n2)cc1
InChIInChI=1S/C24H29N5O4S/c1-17-5-10-21(16-22(17)33-4)34(30,31)29-13-11-28(12-14-29)24-25-18(2)15-23(27-24)26-19-6-8-20(32-3)9-7-19/h5-10,15-16H,11-14H2,1-4H3,(H,25,26,27)
InChIKeyLSSDSLSFUALWFY-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.37
Rot. Bonds7

About 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 122549460) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID122549460
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(C)c(OC)c4)CC3)n2)cc1
InChIInChI=1S/C24H29N5O4S/c1-17-5-10-21(16-22(17)33-4)34(30,31)29-13-11-28(12-14-29)24-25-18(2)15-23(27-24)26-19-6-8-20(32-3)9-7-19/h5-10,15-16H,11-14H2,1-4H3,(H,25,26,27)
InChIKeyLSSDSLSFUALWFY-UHFFFAOYSA-N
XLogP3.37
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-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

2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 27653130
2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346510
N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346771
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122346739
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122632244
6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
CID 134410110
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 122624212
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 44826804
2-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122346744
4-[[6-methyl-2-[4-(4-propoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 134410116
(2,4-dimethoxyphenyl)-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477666

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 122549460) is 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(C)c(OC)c4)CC3)n2)cc1.
What is the InChIKey of 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is LSSDSLSFUALWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-17-5-10-21(16-22(17)33-4)34(30,31)29-13-11-28(12-14-29)24-25-18(2)15-23(27-24)26-19-6-8-20(32-3)9-7-19/h5-10,15-16H,11-14H2,1-4H3,(H,25,26,27).
What are the key properties of 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 483.59 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 122549460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).