6-amino-8-methoxy-1,7-dihydropurin-2-one

C6H7N5O2 — CID 89175447

IUPAC6-amino-8-methoxy-1,7-dihydropurin-2-one
SMILESCOc1nc2nc(=O)[nH]c(N)c2[nH]1
InChIInChI=1S/C6H7N5O2/c1-13-6-8-2-3(7)9-5(12)10-4(2)11-6/h1H3,(H4,7,8,9,10,11,12)
InChIKeyWKNYMJXXJFBCKL-UHFFFAOYSA-N
MW181.16 g/mol
LogP-0.76
Rot. Bonds1

About 6-amino-8-methoxy-1,7-dihydropurin-2-one

6-amino-8-methoxy-1,7-dihydropurin-2-one (PubChem CID 89175447) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 6-amino-8-methoxy-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-amino-8-methoxy-1,7-dihydropurin-2-one
PubChem CID89175447
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name6-amino-8-methoxy-1,7-dihydropurin-2-one
SMILESCOc1nc2nc(=O)[nH]c(N)c2[nH]1
InChIInChI=1S/C6H7N5O2/c1-13-6-8-2-3(7)9-5(12)10-4(2)11-6/h1H3,(H4,7,8,9,10,11,12)
InChIKeyWKNYMJXXJFBCKL-UHFFFAOYSA-N
XLogP-0.76
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1,7-dihydropurin-2-one;hydrochloride
CID 67634855
8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine
CID 68931898
6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one
CID 137309429
2-methoxy-7-methyl-1H-imidazo[4,5-b]pyridine
CID 22067363
4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one
CID 25152005
4-amino-8-methoxy-1H-quinazolin-2-one
CID 25152155
6-amino-5-methoxy-1H-pyrimidin-2-one
CID 15422742
4-amino-5-(2-chloroacetyl)-2-methoxy-1H-pyrimidin-6-one
CID 135678313
2-[(2S)-hexan-2-yl]oxy-8-methoxy-7H-purin-6-amine;2,2,2-trifluoroacetic acid
CID 66727033
(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone
CID 174445332
4-amino-6-ethyl-3H-pteridin-2-one
CID 24810988
(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane
CID 174445331

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-methoxy-1,7-dihydropurin-2-one?
The IUPAC name of 6-amino-8-methoxy-1,7-dihydropurin-2-one (CID 89175447) is 6-amino-8-methoxy-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-amino-8-methoxy-1,7-dihydropurin-2-one?
The canonical SMILES for 6-amino-8-methoxy-1,7-dihydropurin-2-one is COc1nc2nc(=O)[nH]c(N)c2[nH]1.
What is the InChIKey of 6-amino-8-methoxy-1,7-dihydropurin-2-one?
The InChIKey is WKNYMJXXJFBCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-13-6-8-2-3(7)9-5(12)10-4(2)11-6/h1H3,(H4,7,8,9,10,11,12).
What are the key properties of 6-amino-8-methoxy-1,7-dihydropurin-2-one?
6-amino-8-methoxy-1,7-dihydropurin-2-one has a molecular weight of 181.16 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-methoxy-1,7-dihydropurin-2-one is sourced from PubChem (CID 89175447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).