[(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol

C18H22N6O3 — CID 46943881

IUPAC[(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(NC4CC4)ncnc32)O1
InChIInChI=1S/C18H22N6O3/c25-9-14-7-23(6-13-2-1-5-26-13)8-15(27-14)24-11-21-16-17(22-12-3-4-12)19-10-20-18(16)24/h1-2,5,10-12,14-15,25H,3-4,6-9H2,(H,19,20,22)/t14-,15+/m0/s1
InChIKeyKFQCMDHGKAXFEA-LSDHHAIUSA-N
MW370.41 g/mol
LogP1.39
Rot. Bonds6

About [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol

[(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol (PubChem CID 46943881) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol
PubChem CID46943881
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name[(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(NC4CC4)ncnc32)O1
InChIInChI=1S/C18H22N6O3/c25-9-14-7-23(6-13-2-1-5-26-13)8-15(27-14)24-11-21-16-17(22-12-3-4-12)19-10-20-18(16)24/h1-2,5,10-12,14-15,25H,3-4,6-9H2,(H,19,20,22)/t14-,15+/m0/s1
InChIKeyKFQCMDHGKAXFEA-LSDHHAIUSA-N
XLogP1.39
TPSA101.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol with MolForge

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Related Compounds

[(2S,6R)-4-(1,3-benzodioxol-5-ylmethyl)-6-[6-(cyclobutylamino)purin-9-yl]morpholin-2-yl]methanol
CID 46948454
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
[(2S,6R)-4-benzyl-6-[6-[2-(dimethylamino)ethylamino]purin-9-yl]morpholin-2-yl]methanol
CID 46942807
[(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol
CID 46944057
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56995921
[(1R,2R,4R,5R)-4-[6-(cyclopentylamino)purin-9-yl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10543507
N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide
CID 146160672
(2R,3R,4R,5S)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 6604676
S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721866
N-[9-[(2R,6S)-6-(hydroxymethyl)-4-tritylmorpholin-2-yl]purin-6-yl]acetamide
CID 166591210

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol?
The IUPAC name of [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol (CID 46943881) is [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol?
The canonical SMILES for [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol is OC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(NC4CC4)ncnc32)O1.
What is the InChIKey of [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol?
The InChIKey is KFQCMDHGKAXFEA-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H22N6O3/c25-9-14-7-23(6-13-2-1-5-26-13)8-15(27-14)24-11-21-16-17(22-12-3-4-12)19-10-20-18(16)24/h1-2,5,10-12,14-15,25H,3-4,6-9H2,(H,19,20,22)/t14-,15+/m0/s1.
What are the key properties of [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol?
[(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol has a molecular weight of 370.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 46943881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).