[(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol

C16H26N6O3 — CID 46944057

IUPAC[(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol
SMILESCOCCN1C[C@@H](CO)O[C@@H](n2cnc3c(NC(C)C)ncnc32)C1
InChIInChI=1S/C16H26N6O3/c1-11(2)20-15-14-16(18-9-17-15)22(10-19-14)13-7-21(4-5-24-3)6-12(8-23)25-13/h9-13,23H,4-8H2,1-3H3,(H,17,18,20)/t12-,13+/m0/s1
InChIKeyKSOUZQVNYNXDKI-QWHCGFSZSA-N
MW350.42 g/mol
LogP0.48
Rot. Bonds7

About [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol

[(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol (PubChem CID 46944057) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol
PubChem CID46944057
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name[(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol
SMILESCOCCN1C[C@@H](CO)O[C@@H](n2cnc3c(NC(C)C)ncnc32)C1
InChIInChI=1S/C16H26N6O3/c1-11(2)20-15-14-16(18-9-17-15)22(10-19-14)13-7-21(4-5-24-3)6-12(8-23)25-13/h9-13,23H,4-8H2,1-3H3,(H,17,18,20)/t12-,13+/m0/s1
InChIKeyKSOUZQVNYNXDKI-QWHCGFSZSA-N
XLogP0.48
TPSA97.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol with MolForge

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Related Compounds

[(2S,6R)-4-benzyl-6-[6-[2-(dimethylamino)ethylamino]purin-9-yl]morpholin-2-yl]methanol
CID 46942807
[(2S,6R)-6-[6-(cyclopropylamino)purin-9-yl]-4-(furan-2-ylmethyl)morpholin-2-yl]methanol
CID 46943881
[(2S,6R)-6-(6-pyrrolidin-1-ylpurin-9-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]morpholin-2-yl]methanol
CID 46943152
2-dihydroxyphosphanyl-2-[[(2S,5R)-5-[6-(propan-2-ylamino)purin-9-yl]oxolan-2-yl]methoxy]acetic acid
CID 156543905
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
5-(hydroxymethyl)-2-[6-[1-(3,4,5-trimethoxyphenyl)ethylamino]purin-9-yl]oxolan-3-ol
CID 123709591
[(2S,6R)-4-(1,3-benzodioxol-5-ylmethyl)-6-[6-(cyclobutylamino)purin-9-yl]morpholin-2-yl]methanol
CID 46948454
N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide
CID 146160672
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
N-[9-[(2R,6S)-6-(hydroxymethyl)-4-tritylmorpholin-2-yl]purin-6-yl]acetamide
CID 166591210
(2R,5S)-5-(hydroxymethyl)-2-[6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]oxolan-3-ol
CID 163914007

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol?
The IUPAC name of [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol (CID 46944057) is [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol is COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(NC(C)C)ncnc32)C1.
What is the InChIKey of [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol?
The InChIKey is KSOUZQVNYNXDKI-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-11(2)20-15-14-16(18-9-17-15)22(10-19-14)13-7-21(4-5-24-3)6-12(8-23)25-13/h9-13,23H,4-8H2,1-3H3,(H,17,18,20)/t12-,13+/m0/s1.
What are the key properties of [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol?
[(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol has a molecular weight of 350.42 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-(2-methoxyethyl)-6-[6-(propan-2-ylamino)purin-9-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 46944057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).