[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone

C15H20N6O4 — CID 46875958

IUPAC[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone
SMILESNc1ncnc2c1ncn2C1O[C@H](C(=O)N2CCCCC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H20N6O4/c16-12-8-13(18-6-17-12)21(7-19-8)15-10(23)9(22)11(25-15)14(24)20-4-2-1-3-5-20/h6-7,9-11,15,22-23H,1-5H2,(H2,16,17,18)/t9-,10+,11-,15?/m0/s1
InChIKeyPJUPECUYTWAJGH-PGLKQGCBSA-N
MW348.36 g/mol
LogP-0.96
Rot. Bonds2

About [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone

[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone (PubChem CID 46875958) has the molecular formula C15H20N6O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone
PubChem CID46875958
Molecular FormulaC15H20N6O4
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone
SMILESNc1ncnc2c1ncn2C1O[C@H](C(=O)N2CCCCC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H20N6O4/c16-12-8-13(18-6-17-12)21(7-19-8)15-10(23)9(22)11(25-15)14(24)20-4-2-1-3-5-20/h6-7,9-11,15,22-23H,1-5H2,(H2,16,17,18)/t9-,10+,11-,15?/m0/s1
InChIKeyPJUPECUYTWAJGH-PGLKQGCBSA-N
XLogP-0.96
TPSA139.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 110154054
(2R,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 7264462
(2S,3S,4S,5R,6R)-6-(6-aminopurin-9-yl)-3,4,5-trihydroxyoxane-2-carboxamide
CID 131852589
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 51360285
(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
CID 688430
5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
CID 1761
(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N,N-dimethyloxolane-2-carboxamide
CID 21128963
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone
CID 69380203
ethyl (2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate
CID 92526208
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethoxy-3,4-dihydroxyoxolane-2-carboxamide
CID 10734748
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CID 72641180
(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 7068779

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone (CID 46875958) is [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone is Nc1ncnc2c1ncn2C1O[C@H](C(=O)N2CCCCC2)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is PJUPECUYTWAJGH-PGLKQGCBSA-N. The full InChI is InChI=1S/C15H20N6O4/c16-12-8-13(18-6-17-12)21(7-19-8)15-10(23)9(22)11(25-15)14(24)20-4-2-1-3-5-20/h6-7,9-11,15,22-23H,1-5H2,(H2,16,17,18)/t9-,10+,11-,15?/m0/s1.
What are the key properties of [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone?
[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 348.36 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46875958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).