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

C19H27N5O3S — CID 39085061

IUPACethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNc2nc(C)nc3sc(CC)cc23)CC1
InChIInChI=1S/C19H27N5O3S/c1-4-14-10-15-17(21-12(3)22-18(15)28-14)20-11-16(25)23-13-6-8-24(9-7-13)19(26)27-5-2/h10,13H,4-9,11H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyWNQPISPAJXGTBL-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.71
Rot. Bonds6

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

ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate (PubChem CID 39085061) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
PubChem CID39085061
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Nameethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNc2nc(C)nc3sc(CC)cc23)CC1
InChIInChI=1S/C19H27N5O3S/c1-4-14-10-15-17(21-12(3)22-18(15)28-14)20-11-16(25)23-13-6-8-24(9-7-13)19(26)27-5-2/h10,13H,4-9,11H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyWNQPISPAJXGTBL-UHFFFAOYSA-N
XLogP2.71
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39084848
1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081904
ethyl 4-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39084915
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 103325110
N-cyclopropyl-2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 137341667
1-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 82022327
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 6460527
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003769
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003787
ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003771
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate (CID 39085061) is ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CNc2nc(C)nc3sc(CC)cc23)CC1.
What is the InChIKey of ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is WNQPISPAJXGTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-4-14-10-15-17(21-12(3)22-18(15)28-14)20-11-16(25)23-13-6-8-24(9-7-13)19(26)27-5-2/h10,13H,4-9,11H2,1-3H3,(H,23,25)(H,20,21,22).
What are the key properties of ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 405.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 39085061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).