2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one

C8H11N5O3 — CID 135398513

IUPAC2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
SMILESNc1nc2c(ncn2COCCO)c(=O)[nH]1
InChIInChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChIKeyMKUXAQIIEYXACX-UHFFFAOYSA-N
MW225.21 g/mol
LogP-1.33
Rot. Bonds4

About 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one

2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one (PubChem CID 135398513) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
PubChem CID135398513
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
SMILESNc1nc2c(ncn2COCCO)c(=O)[nH]1
InChIInChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChIKeyMKUXAQIIEYXACX-UHFFFAOYSA-N
XLogP-1.33
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ganciclovir
CID 135398740
Penciclovir
CID 135398748
7-Methylguanine
CID 135398679
P-((2-(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)ethoxy)methyl)phosphonic acid
CID 135409438
Acyclovir triphosphate
CID 135405018
Acyclovir monophosphate
CID 135422933
Dideoxyguanosine
CID 135463029
9-Carboxymethoxymethylguanine
CID 135508007
9-Methylguanine
CID 135403591
3'-Fluoro-2',3'-dideoxyguanosine
CID 135431817
(4-2-Aminopurin-9-yl)-1,3-dioxolane-2-methanol
CID 135400895
9-(3-Hydroxypropoxy)guanine
CID 135409371

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one?
The IUPAC name of 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one (CID 135398513) is 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one is Nc1nc2c(ncn2COCCO)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one?
The InChIKey is MKUXAQIIEYXACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15).
What are the key properties of 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one?
2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one has a molecular weight of 225.21 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one is sourced from PubChem (CID 135398513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).