9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one

C10H13N5O2 — CID 146312165

IUPAC9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one
SMILESNCC1CCC(n2cnc3c(=O)[nH]cnc32)O1
InChIInChI=1S/C10H13N5O2/c11-3-6-1-2-7(17-6)15-5-14-8-9(15)12-4-13-10(8)16/h4-7H,1-3,11H2,(H,12,13,16)
InChIKeyMHOKBGSMXKDWBW-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.24
Rot. Bonds2

About 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one

9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one (PubChem CID 146312165) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one
PubChem CID146312165
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one
SMILESNCC1CCC(n2cnc3c(=O)[nH]cnc32)O1
InChIInChI=1S/C10H13N5O2/c11-3-6-1-2-7(17-6)15-5-14-8-9(15)12-4-13-10(8)16/h4-7H,1-3,11H2,(H,12,13,16)
InChIKeyMHOKBGSMXKDWBW-UHFFFAOYSA-N
XLogP-0.24
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210
[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
CID 135565968
9-[4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135856505
9-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135508917
9-[(6R)-6-(hydroxymethyl)-1,4-oxathian-2-yl]-1H-purin-6-one
CID 136805617
(2R)-2-amino-4-(hydroxyamino)-4-oxobutanoic acid;9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135483722
8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136663246
2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one
CID 137213095
9-[(2R,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]-1H-purin-6-one
CID 136826771
9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one
CID 135431287
9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine
CID 123996190

Frequently Asked Questions

What is the IUPAC name of 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one (CID 146312165) is 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one is NCC1CCC(n2cnc3c(=O)[nH]cnc32)O1.
What is the InChIKey of 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one?
The InChIKey is MHOKBGSMXKDWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-3-6-1-2-7(17-6)15-5-14-8-9(15)12-4-13-10(8)16/h4-7H,1-3,11H2,(H,12,13,16).
What are the key properties of 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one?
9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one has a molecular weight of 235.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 146312165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).