8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione

C17H24N6O2S — CID 10110084

IUPAC8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione
SMILESCn1c2c(c(=O)n(C)c1=O)N(Cc1cccs1)C(N1CCCC(N)C1)N2
InChIInChI=1S/C17H24N6O2S/c1-20-14-13(15(24)21(2)17(20)25)23(10-12-6-4-8-26-12)16(19-14)22-7-3-5-11(18)9-22/h4,6,8,11,16,19H,3,5,7,9-10,18H2,1-2H3
InChIKeyOQOSWUPZLSUOSD-UHFFFAOYSA-N
MW376.49 g/mol
LogP0.28
Rot. Bonds3

About 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione

8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione (PubChem CID 10110084) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione
PubChem CID10110084
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione
SMILESCn1c2c(c(=O)n(C)c1=O)N(Cc1cccs1)C(N1CCCC(N)C1)N2
InChIInChI=1S/C17H24N6O2S/c1-20-14-13(15(24)21(2)17(20)25)23(10-12-6-4-8-26-12)16(19-14)22-7-3-5-11(18)9-22/h4,6,8,11,16,19H,3,5,7,9-10,18H2,1-2H3
InChIKeyOQOSWUPZLSUOSD-UHFFFAOYSA-N
XLogP0.28
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione with MolForge

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Related Compounds

8-(3-aminoazepan-1-yl)-7-[(2-chlorophenyl)methyl]-3-methyl-1-[[2-(methyliminomethyl)phenyl]methyl]-8,9-dihydropurine-2,6-dione
CID 142881436
4-amino-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
CID 168700085
(3R,8aR)-3-methyl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792153
3-cyclopropyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883454
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
3-propan-2-yl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939527
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
CID 63388568
7-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882972
1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 115269326
(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 29133033
1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546734

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione?
The IUPAC name of 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione (CID 10110084) is 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione?
The canonical SMILES for 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione is Cn1c2c(c(=O)n(C)c1=O)N(Cc1cccs1)C(N1CCCC(N)C1)N2.
What is the InChIKey of 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione?
The InChIKey is OQOSWUPZLSUOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-20-14-13(15(24)21(2)17(20)25)23(10-12-6-4-8-26-12)16(19-14)22-7-3-5-11(18)9-22/h4,6,8,11,16,19H,3,5,7,9-10,18H2,1-2H3.
What are the key properties of 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione?
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione has a molecular weight of 376.49 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)-8,9-dihydropurine-2,6-dione is sourced from PubChem (CID 10110084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).