8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one

C14H15N5O2 — CID 137254646

IUPAC8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one
SMILESCCOc1cccc(-n2c(N)nc3nc(C)[nH]c(=O)c32)c1
InChIInChI=1S/C14H15N5O2/c1-3-21-10-6-4-5-9(7-10)19-11-12(18-14(19)15)16-8(2)17-13(11)20/h4-7H,3H2,1-2H3,(H3,15,16,17,18,20)
InChIKeyXMNPTUANOGPOEB-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.40
Rot. Bonds3

About 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one

8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one (PubChem CID 137254646) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one.

Molecular Properties

Compound Name8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one
PubChem CID137254646
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one
SMILESCCOc1cccc(-n2c(N)nc3nc(C)[nH]c(=O)c32)c1
InChIInChI=1S/C14H15N5O2/c1-3-21-10-6-4-5-9(7-10)19-11-12(18-14(19)15)16-8(2)17-13(11)20/h4-7H,3H2,1-2H3,(H3,15,16,17,18,20)
InChIKeyXMNPTUANOGPOEB-UHFFFAOYSA-N
XLogP1.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 86151328
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138281
1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 3253093
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
2,8-dimethyl-7-(2-methylphenyl)-1H-purin-6-one
CID 137254705
7-(3-bromophenyl)-2-methyl-1,9-dihydropurine-6,8-dione
CID 137254786
5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136618124
1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 886800
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
4-[6-(3-ethoxyphenoxy)-3-pyridinyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 72704328
3-amino-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 11150355

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one?
The IUPAC name of 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one (CID 137254646) is 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one.
What is the SMILES notation for 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one?
The canonical SMILES for 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one is CCOc1cccc(-n2c(N)nc3nc(C)[nH]c(=O)c32)c1.
What is the InChIKey of 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one?
The InChIKey is XMNPTUANOGPOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-3-21-10-6-4-5-9(7-10)19-11-12(18-14(19)15)16-8(2)17-13(11)20/h4-7H,3H2,1-2H3,(H3,15,16,17,18,20).
What are the key properties of 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one?
8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one has a molecular weight of 285.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-(3-ethoxyphenyl)-2-methyl-1H-purin-6-one is sourced from PubChem (CID 137254646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).