6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane

C18H25N5O4 — CID 143605693

IUPAC6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane
SMILESCC.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CO)c3)c2n1
InChIInChI=1S/C16H19N5O4.C2H6/c1-24-5-6-25-15-19-13(17)12-14(20-15)21(16(23)18-12)8-10-3-2-4-11(7-10)9-22;1-2/h2-4,7,22H,5-6,8-9H2,1H3,(H,18,23)(H2,17,19,20);1-2H3
InChIKeyUNALKZWTNDCHOD-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.29
Rot. Bonds7

About 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane

6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane (PubChem CID 143605693) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane.

Molecular Properties

Compound Name6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane
PubChem CID143605693
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane
SMILESCC.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CO)c3)c2n1
InChIInChI=1S/C16H19N5O4.C2H6/c1-24-5-6-25-15-19-13(17)12-14(20-15)21(16(23)18-12)8-10-3-2-4-11(7-10)9-22;1-2/h2-4,7,22H,5-6,8-9H2,1H3,(H,18,23)(H2,17,19,20);1-2H3
InChIKeyUNALKZWTNDCHOD-UHFFFAOYSA-N
XLogP1.29
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate
CID 23158703
[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl-methylphosphinic acid
CID 24898727
methyl 2-[3-[[6-amino-2-(3-hydroxypropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate
CID 11531154
6-amino-9-[[3-(1,4-diazepan-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one
CID 25172452
N-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl]acetamide;ethane
CID 145310401
[2-[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-1-hydroxy-1-phosphorosooxyethyl] 2,2-dimethylpropanoate
CID 90813658
2-[3-[(6-amino-8-oxo-2-pentoxy-7H-purin-9-yl)methyl]phenyl]acetic acid
CID 11610704
2-hydroxyethyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate
CID 11604054
propan-2-yl 2-[[[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate
CID 24900208
[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl-methylphosphinic acid
CID 24898959
acetonitrile;6-amino-9-[[3-(dimethoxyphosphorylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methylphosphonic acid;bromo(trimethyl)silane;methane
CID 158969261
6-amino-9-[[4-[(1-aminoethenylamino)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one
CID 118428813

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane?
The IUPAC name of 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane (CID 143605693) is 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane.
What is the SMILES notation for 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane?
The canonical SMILES for 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane is CC.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CO)c3)c2n1.
What is the InChIKey of 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane?
The InChIKey is UNALKZWTNDCHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4.C2H6/c1-24-5-6-25-15-19-13(17)12-14(20-15)21(16(23)18-12)8-10-3-2-4-11(7-10)9-22;1-2/h2-4,7,22H,5-6,8-9H2,1H3,(H,18,23)(H2,17,19,20);1-2H3.
What are the key properties of 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane?
6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane has a molecular weight of 375.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane is sourced from PubChem (CID 143605693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).