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

C8H11N5O2 — CID 135996340

IUPAC2-amino-9-(1-methoxyethyl)-1H-purin-6-one
SMILESCOC(C)n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H11N5O2/c1-4(15-2)13-3-10-5-6(13)11-8(9)12-7(5)14/h3-4H,1-2H3,(H3,9,11,12,14)
InChIKeyIQJOZJVGEOFSPD-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.13
Rot. Bonds2

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

2-amino-9-(1-methoxyethyl)-1H-purin-6-one (PubChem CID 135996340) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-9-(1-methoxyethyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(1-methoxyethyl)-1H-purin-6-one
PubChem CID135996340
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-amino-9-(1-methoxyethyl)-1H-purin-6-one
SMILESCOC(C)n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H11N5O2/c1-4(15-2)13-3-10-5-6(13)11-8(9)12-7(5)14/h3-4H,1-2H3,(H3,9,11,12,14)
InChIKeyIQJOZJVGEOFSPD-UHFFFAOYSA-N
XLogP-0.13
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]-1H-purin-6-one
CID 136502764
2-amino-9-[(1R)-1-[(2R,3S)-1,3-dihydroxy-2-methylbutan-2-yl]oxyethyl]-1H-purin-6-one
CID 137196651
2-amino-6-oxo-9-[1-(1-sulfinamoyloxypropan-2-yloxy)ethyl]-1H-purine;propane
CID 153344787
2-amino-9-(1-hydroxypropyl)-1H-purin-6-one
CID 137154787
2-amino-9-[(1S,4S)-4-(2-amino-6-oxo-1H-purin-9-yl)-1,4-dihydroxybutyl]-1H-purin-6-one
CID 136669333
2-amino-9-[(1R)-1-[(2S)-1-hydroxy-5-sulfanylpentan-2-yl]oxyethyl]-1H-purin-6-one
CID 142535864
2-amino-9-tetradecan-7-yl-1H-purin-6-one
CID 137034322
2-amino-9-propan-2-yl-1H-purin-6-one;9-propan-2-ylpurin-6-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 160504093
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
[(2S)-2-[(1R)-1-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxyethoxy]-3-hydroxypropyl] methyl hydrogen phosphate
CID 137148831
2-amino-9-[2-amino-6-(methoxyamino)purin-9-yl]-1H-purin-6-one
CID 170160535
2-amino-9-[(2R,3R)-3,4-dihydroxy-2-methylbutyl]-1H-purin-6-one
CID 136756749

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(1-methoxyethyl)-1H-purin-6-one?
The IUPAC name of 2-amino-9-(1-methoxyethyl)-1H-purin-6-one (CID 135996340) is 2-amino-9-(1-methoxyethyl)-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(1-methoxyethyl)-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(1-methoxyethyl)-1H-purin-6-one is COC(C)n1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-(1-methoxyethyl)-1H-purin-6-one?
The InChIKey is IQJOZJVGEOFSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-4(15-2)13-3-10-5-6(13)11-8(9)12-7(5)14/h3-4H,1-2H3,(H3,9,11,12,14).
What are the key properties of 2-amino-9-(1-methoxyethyl)-1H-purin-6-one?
2-amino-9-(1-methoxyethyl)-1H-purin-6-one has a molecular weight of 209.21 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(1-methoxyethyl)-1H-purin-6-one is sourced from PubChem (CID 135996340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).