9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one

C11H15N5O2 — CID 137288300

IUPAC9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
SMILESCn1cnc2c(=O)[nH]c(NCC3CCCO3)nc21
InChIInChI=1S/C11H15N5O2/c1-16-6-13-8-9(16)14-11(15-10(8)17)12-5-7-3-2-4-18-7/h6-7H,2-5H2,1H3,(H2,12,14,15,17)
InChIKeyCNBAYYBVUMEVOE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.25
Rot. Bonds3

About 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one

9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one (PubChem CID 137288300) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one.

Molecular Properties

Compound Name9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
PubChem CID137288300
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
SMILESCn1cnc2c(=O)[nH]c(NCC3CCCO3)nc21
InChIInChI=1S/C11H15N5O2/c1-16-6-13-8-9(16)14-11(15-10(8)17)12-5-7-3-2-4-18-7/h6-7H,2-5H2,1H3,(H2,12,14,15,17)
InChIKeyCNBAYYBVUMEVOE-UHFFFAOYSA-N
XLogP0.25
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-oxo-9-[2-(oxolan-2-yl)ethoxymethyl]-1H-purin-2-yl]acetamide
CID 136805600
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
CID 136900705
5-bromo-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956018
(E)-3-[(9-methyl-6-oxo-1H-purin-2-yl)amino]prop-2-enal
CID 136771561
1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264504
3-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
CID 121205371
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7424134
5-bromo-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956337
3-(oxolan-2-ylmethyl)-9-[6-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidenepurin-9-yl]-2-sulfanylidenepurin-6-one
CID 91191868
9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-methylpropylamino)-1H-purin-6-one
CID 136802933

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one?
The IUPAC name of 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one (CID 137288300) is 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one.
What is the SMILES notation for 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one?
The canonical SMILES for 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one is Cn1cnc2c(=O)[nH]c(NCC3CCCO3)nc21.
What is the InChIKey of 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one?
The InChIKey is CNBAYYBVUMEVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16-6-13-8-9(16)14-11(15-10(8)17)12-5-7-3-2-4-18-7/h6-7H,2-5H2,1H3,(H2,12,14,15,17).
What are the key properties of 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one?
9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one has a molecular weight of 249.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one is sourced from PubChem (CID 137288300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).