N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide

C17H19N7O3 — CID 146160672

IUPACN-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide
SMILESNN1CC(CO)OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C1
InChIInChI=1S/C17H19N7O3/c18-23-6-12(8-25)27-13(7-23)24-10-21-14-15(19-9-20-16(14)24)22-17(26)11-4-2-1-3-5-11/h1-5,9-10,12-13,25H,6-8,18H2,(H,19,20,22,26)
InChIKeyWZFOIWDDPKSGCN-UHFFFAOYSA-N
MW369.39 g/mol
LogP0.14
Rot. Bonds4

About N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide

N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide (PubChem CID 146160672) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide.

Molecular Properties

Compound NameN-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide
PubChem CID146160672
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC NameN-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide
SMILESNN1CC(CO)OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C1
InChIInChI=1S/C17H19N7O3/c18-23-6-12(8-25)27-13(7-23)24-10-21-14-15(19-9-20-16(14)24)22-17(26)11-4-2-1-3-5-11/h1-5,9-10,12-13,25H,6-8,18H2,(H,19,20,22,26)
InChIKeyWZFOIWDDPKSGCN-UHFFFAOYSA-N
XLogP0.14
TPSA131.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-[9-[6-(hydroxymethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide
CID 71572366
N-[9-[(2R,3R,4S,5R)-3-deuterio-5-[deuterio(hydroxy)(113C)methyl]-4-hydroxy(2,3,4,5-13C4)oxolan-2-yl]purin-6-yl]benzamide
CID 119080291
[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate
CID 15576398
N-[9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 90477184
[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 11143769
N-[9-[(2R,6S)-6-(hydroxymethyl)-4-tritylmorpholin-2-yl]purin-6-yl]acetamide
CID 166591210
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]purin-6-yl](15N)benzamide
CID 11079354
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl](15N)benzamide
CID 11406153
N-[9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 145365076
[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-methoxyacetate
CID 10960915
N-[9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,3S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 163478876
N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-oxolan-2-yl]oxyoxolan-2-yl]purin-6-yl]benzamide
CID 127260547

Frequently Asked Questions

What is the IUPAC name of N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide?
The IUPAC name of N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide (CID 146160672) is N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide.
What is the SMILES notation for N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide?
The canonical SMILES for N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide is NN1CC(CO)OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C1.
What is the InChIKey of N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide?
The InChIKey is WZFOIWDDPKSGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c18-23-6-12(8-25)27-13(7-23)24-10-21-14-15(19-9-20-16(14)24)22-17(26)11-4-2-1-3-5-11/h1-5,9-10,12-13,25H,6-8,18H2,(H,19,20,22,26).
What are the key properties of N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide?
N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide has a molecular weight of 369.39 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide is sourced from PubChem (CID 146160672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).