2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane

C13H20N8O2 — CID 142113883

IUPAC2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane
SMILESCC.Cn1ccc(=O)nc1N.Cn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C6H7N5O.C5H7N3O.C2H6/c1-11-2-8-3-4(11)9-6(7)10-5(3)12;1-8-3-2-4(9)7-5(8)6;1-2/h2H,1H3,(H3,7,9,10,12);2-3H,1H3,(H2,6,7,9);1-2H3
InChIKeyQHNFWOAETJLEIJ-UHFFFAOYSA-N
MW320.36 g/mol
LogP-0.37
Rot. Bonds

About 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane

2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane (PubChem CID 142113883) has the molecular formula C13H20N8O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane.

Molecular Properties

Compound Name2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane
PubChem CID142113883
Molecular FormulaC13H20N8O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane
SMILESCC.Cn1ccc(=O)nc1N.Cn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C6H7N5O.C5H7N3O.C2H6/c1-11-2-8-3-4(11)9-6(7)10-5(3)12;1-8-3-2-4(9)7-5(8)6;1-2/h2H,1H3,(H3,7,9,10,12);2-3H,1H3,(H2,6,7,9);1-2H3
InChIKeyQHNFWOAETJLEIJ-UHFFFAOYSA-N
XLogP-0.37
TPSA150.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-(3,3-dibromopropyl)-1H-purin-6-one
CID 175411910
2-amino-9-methyl-1H-purin-6-one;9-methyl-6-(propan-2-ylsulfanylmethoxy)purin-2-amine;2-methylsulfanylpropane
CID 159212445
2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-[(2R,3S,4R)-3-hydroxy-4-(hydroxymethyl)-3-methylthietan-2-yl]-1H-purin-6-one
CID 135513100
2-amino-9-(3-methylphenyl)-1H-purin-6-one
CID 135416977
2-amino-9-(1-methoxyethyl)-1H-purin-6-one
CID 135996340
2-amino-9-(2,4,5-trimethylphenyl)-1H-purin-6-one
CID 135958418
2-amino-9-(1-hydroxypropyl)-1H-purin-6-one
CID 137154787

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane?
The IUPAC name of 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane (CID 142113883) is 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane.
What is the SMILES notation for 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane?
The canonical SMILES for 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane is CC.Cn1ccc(=O)nc1N.Cn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane?
The InChIKey is QHNFWOAETJLEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.C5H7N3O.C2H6/c1-11-2-8-3-4(11)9-6(7)10-5(3)12;1-8-3-2-4(9)7-5(8)6;1-2/h2H,1H3,(H3,7,9,10,12);2-3H,1H3,(H2,6,7,9);1-2H3.
What are the key properties of 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane?
2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane has a molecular weight of 320.36 g/mol, XLogP of -0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane is sourced from PubChem (CID 142113883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).