N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide

C19H21N5O4 — CID 90911609

IUPACN-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
SMILESCOCC1CC(OC)C(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1
InChIInChI=1S/C19H21N5O4/c1-26-9-13-8-14(27-2)19(28-13)24-11-22-15-16(20-10-21-17(15)24)23-18(25)12-6-4-3-5-7-12/h3-7,10-11,13-14,19H,8-9H2,1-2H3,(H,20,21,23,25)
InChIKeyLREBZWFJJREWKI-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.03
Rot. Bonds6

About N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide

N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide (PubChem CID 90911609) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide.

Molecular Properties

Compound NameN-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
PubChem CID90911609
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
SMILESCOCC1CC(OC)C(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1
InChIInChI=1S/C19H21N5O4/c1-26-9-13-8-14(27-2)19(28-13)24-11-22-15-16(20-10-21-17(15)24)23-18(25)12-6-4-3-5-7-12/h3-7,10-11,13-14,19H,8-9H2,1-2H3,(H,20,21,23,25)
InChIKeyLREBZWFJJREWKI-UHFFFAOYSA-N
XLogP2.03
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S,5R)-5-(6-benzamidopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-methylphosphinate
CID 140680411
N-[9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 67717718
N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide
CID 91438087
N-[9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 67084775
N-[9-[(2R,3R,4R,5R)-5-ethyl-3-methoxy-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 170290375
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(2-methoxyethoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 70020729
N-[9-[(4S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 171699416
N-[9-[(2R,3S)-3-ethoxy-4-methyloxetan-2-yl]purin-6-yl]benzamide
CID 126703595
[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-methoxyacetate
CID 10960915
N-[9-[(2R,3R,4S)-4-(methoxymethyl)-3-(trityloxymethyl)oxetan-2-yl]purin-6-yl]benzamide
CID 57292552
[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 11143769
N-[9-[5-[1-[di(propan-2-yl)amino]ethoxymethyl]-3-methoxy-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 20747754

Frequently Asked Questions

What is the IUPAC name of N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide?
The IUPAC name of N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide (CID 90911609) is N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide.
What is the SMILES notation for N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide?
The canonical SMILES for N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide is COCC1CC(OC)C(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1.
What is the InChIKey of N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide?
The InChIKey is LREBZWFJJREWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-9-13-8-14(27-2)19(28-13)24-11-22-15-16(20-10-21-17(15)24)23-18(25)12-6-4-3-5-7-12/h3-7,10-11,13-14,19H,8-9H2,1-2H3,(H,20,21,23,25).
What are the key properties of N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide?
N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide has a molecular weight of 383.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide is sourced from PubChem (CID 90911609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).