4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide

C18H26N6O5 — CID 22837731

IUPAC4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide
SMILESNC(=O)CCC(O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H26N6O5/c19-11(26)6-5-10(25)15-13(27)14(28)18(29-15)24-8-22-12-16(20-7-21-17(12)24)23-9-3-1-2-4-9/h7-10,13-15,18,25,27-28H,1-6H2,(H2,19,26)(H,20,21,23)/t10?,13-,14+,15+,18+/m0/s1
InChIKeyIHKHBRPHNOBWRD-VIAWXERISA-N
MW406.44 g/mol
LogP-0.57
Rot. Bonds7

About 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide

4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide (PubChem CID 22837731) has the molecular formula C18H26N6O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide.

Molecular Properties

Compound Name4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide
PubChem CID22837731
Molecular FormulaC18H26N6O5
Molecular Weight406.44 g/mol
Exact Mass406.20
IUPAC Name4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide
SMILESNC(=O)CCC(O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H26N6O5/c19-11(26)6-5-10(25)15-13(27)14(28)18(29-15)24-8-22-12-16(20-7-21-17(12)24)23-9-3-1-2-4-9/h7-10,13-15,18,25,27-28H,1-6H2,(H2,19,26)(H,20,21,23)/t10?,13-,14+,15+,18+/m0/s1
InChIKeyIHKHBRPHNOBWRD-VIAWXERISA-N
XLogP-0.57
TPSA168.64 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 5-0.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide with MolForge

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Related Compounds

(2R,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(sulfanylmethyl)oxolane-3,4-diol
CID 137454747
(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56995921
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(methylaminomethyl)oxolane-3,4-diol
CID 71450934
2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol
CID 76777733
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-cyclopentylethyl)oxolane-3,4-diol
CID 21021557
2-[6-(cyclopentylamino)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 14836036
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen sulfite
CID 53390268
(2R,3R,4S,5R)-4-amino-2-[6-(cyclopentylamino)purin-9-yl]-5-methyloxolan-3-ol
CID 175676425
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-[[hydroperoxy(hydroxy)amino]oxymethyl]oxolane-3,4-diol
CID 88892627
[(1R,2R,4R,5R)-4-[6-(cyclopentylamino)purin-9-yl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10543507
(2R,3R,4S)-2-[6-(cyclobutylamino)purin-9-yl]-5-ethynyloxolane-3,4-diol
CID 87846596
(2R,3R,4S,5S)-2-[6-(cyclohexylamino)purin-9-yl]-5-(1-hydroxy-2-methylprop-1-enyl)oxolane-3,4-diol
CID 141279232

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide?
The IUPAC name of 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide (CID 22837731) is 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide.
What is the SMILES notation for 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide?
The canonical SMILES for 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide is NC(=O)CCC(O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide?
The InChIKey is IHKHBRPHNOBWRD-VIAWXERISA-N. The full InChI is InChI=1S/C18H26N6O5/c19-11(26)6-5-10(25)15-13(27)14(28)18(29-15)24-8-22-12-16(20-7-21-17(12)24)23-9-3-1-2-4-9/h7-10,13-15,18,25,27-28H,1-6H2,(H2,19,26)(H,20,21,23)/t10?,13-,14+,15+,18+/m0/s1.
What are the key properties of 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide?
4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide has a molecular weight of 406.44 g/mol, XLogP of -0.57, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxybutanamide is sourced from PubChem (CID 22837731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).