(2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol

C23H21N5O3 — CID 70913001

IUPAC(2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@@H]1CC(O)[C@H](n2cnc3c(NC4c5ccccc5-c5ccccc54)ncnc32)O1
InChIInChI=1S/C23H21N5O3/c29-10-13-9-18(30)23(31-13)28-12-26-20-21(24-11-25-22(20)28)27-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,11-13,18-19,23,29-30H,9-10H2,(H,24,25,27)/t13-,18?,23+/m0/s1
InChIKeyPNFOTPHAOISULJ-HLOFHJQFSA-N
MW415.45 g/mol
LogP2.65
Rot. Bonds4

About (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol

(2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 70913001) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
PubChem CID70913001
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name(2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@@H]1CC(O)[C@H](n2cnc3c(NC4c5ccccc5-c5ccccc54)ncnc32)O1
InChIInChI=1S/C23H21N5O3/c29-10-13-9-18(30)23(31-13)28-12-26-20-21(24-11-25-22(20)28)27-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,11-13,18-19,23,29-30H,9-10H2,(H,24,25,27)/t13-,18?,23+/m0/s1
InChIKeyPNFOTPHAOISULJ-HLOFHJQFSA-N
XLogP2.65
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
[(3R)-3-[[9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]-phenylmethanone
CID 69425888
(2R,5S)-5-(hydroxymethyl)-2-[6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]oxolan-3-ol
CID 163914007
5-[6-[(10-hydroxy-9,10-dihydrophenanthren-9-yl)amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 585772
1-[3-[[9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]ethanone
CID 21074565
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
(4-fluorophenyl)-[3-[[9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 21074571
N-[(9S,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-9,10-dihydrophenanthren-9-yl]methanesulfonamide
CID 15450862
5-(hydroxymethyl)-2-[6-[1-(3,4,5-trimethoxyphenyl)ethylamino]purin-9-yl]oxolan-3-ol
CID 123709591
3-fluoro-2-[3-[[9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]benzaldehyde
CID 87830197
4-[[3-[[9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]methoxy]benzaldehyde
CID 87829845

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol (CID 70913001) is (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol is OC[C@@H]1CC(O)[C@H](n2cnc3c(NC4c5ccccc5-c5ccccc54)ncnc32)O1.
What is the InChIKey of (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is PNFOTPHAOISULJ-HLOFHJQFSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-10-13-9-18(30)23(31-13)28-12-26-20-21(24-11-25-22(20)28)27-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,11-13,18-19,23,29-30H,9-10H2,(H,24,25,27)/t13-,18?,23+/m0/s1.
What are the key properties of (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol?
(2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 415.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 70913001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).