ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate

C17H23N5O3S — CID 39084848

IUPACethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNc2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C17H23N5O3S/c1-3-25-17(24)22-6-4-12(5-7-22)21-14(23)9-18-15-13-8-11(2)26-16(13)20-10-19-15/h8,10,12H,3-7,9H2,1-2H3,(H,21,23)(H,18,19,20)
InChIKeyFTWYHTZDAQTJGW-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.15
Rot. Bonds5

About ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate (PubChem CID 39084848) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
PubChem CID39084848
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Nameethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNc2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C17H23N5O3S/c1-3-25-17(24)22-6-4-12(5-7-22)21-14(23)9-18-15-13-8-11(2)26-16(13)20-10-19-15/h8,10,12H,3-7,9H2,1-2H3,(H,21,23)(H,18,19,20)
InChIKeyFTWYHTZDAQTJGW-UHFFFAOYSA-N
XLogP2.15
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39084915
ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39085061
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 103325110
N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085277
2-methyl-2-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]propanoic acid
CID 39175337
ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate
CID 39082118
N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408749
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003769
N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133407949
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724
1-(4-benzhydrylpiperazin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081494
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate (CID 39084848) is ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CNc2ncnc3sc(C)cc23)CC1.
What is the InChIKey of ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is FTWYHTZDAQTJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-3-25-17(24)22-6-4-12(5-7-22)21-14(23)9-18-15-13-8-11(2)26-16(13)20-10-19-15/h8,10,12H,3-7,9H2,1-2H3,(H,21,23)(H,18,19,20).
What are the key properties of ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 377.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 39084848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).