2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde

C19H28N6O2S — CID 144753050

IUPAC2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(Nc2ncc(C=O)s2)cc(N2CCN(CCOC(C)(C)C)CC2)n1
InChIInChI=1S/C19H28N6O2S/c1-14-21-16(23-18-20-12-15(13-26)28-18)11-17(22-14)25-7-5-24(6-8-25)9-10-27-19(2,3)4/h11-13H,5-10H2,1-4H3,(H,20,21,22,23)
InChIKeyJUPKPOQOXSPJLX-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.73
Rot. Bonds7

About 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde

2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 144753050) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde
PubChem CID144753050
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(Nc2ncc(C=O)s2)cc(N2CCN(CCOC(C)(C)C)CC2)n1
InChIInChI=1S/C19H28N6O2S/c1-14-21-16(23-18-20-12-15(13-26)28-18)11-17(22-14)25-7-5-24(6-8-25)9-10-27-19(2,3)4/h11-13H,5-10H2,1-4H3,(H,20,21,22,23)
InChIKeyJUPKPOQOXSPJLX-UHFFFAOYSA-N
XLogP2.73
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;ethane
CID 144752979
ethyl 2-[[6-[4-(2-acetyloxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258500
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 139474272
2-[2-[[6-[4-[2-(1-ethoxyethoxy)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]acetic acid
CID 174599787
methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258369
2-[4-[2-methyl-6-[[5-(2-methylpropanoyloxy)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethyl benzoate
CID 89258595
2-[[6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 25118706
2-[(6-aminooxy-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 168901930
2-[4-[6-[[5-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl N-methylcarbamate
CID 144687998
2-[[6-[4-[5-[5-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-oxopentyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde
CID 168902242
propan-2-yl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258364
2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-[2-[2-[2-[2-[2-[2-[4-[6-[[5-[2-(2-chloro-6-methylphenyl)acetyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 160895485

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde (CID 144753050) is 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde is Cc1nc(Nc2ncc(C=O)s2)cc(N2CCN(CCOC(C)(C)C)CC2)n1.
What is the InChIKey of 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is JUPKPOQOXSPJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-14-21-16(23-18-20-12-15(13-26)28-18)11-17(22-14)25-7-5-24(6-8-25)9-10-27-19(2,3)4/h11-13H,5-10H2,1-4H3,(H,20,21,22,23).
What are the key properties of 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde?
2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 404.54 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 144753050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).