1,7-dimethylpurin-6-one;propane

C10H16N4O — CID 142357897

IUPAC1,7-dimethylpurin-6-one;propane
SMILESCCC.Cn1cnc2ncn(C)c2c1=O
InChIInChI=1S/C7H8N4O.C3H8/c1-10-3-8-6-5(10)7(12)11(2)4-9-6;1-3-2/h3-4H,1-2H3;3H2,1-2H3
InChIKeyQHAZBDOFHSEYHZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.08
Rot. Bonds

About 1,7-dimethylpurin-6-one;propane

1,7-dimethylpurin-6-one;propane (PubChem CID 142357897) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,7-dimethylpurin-6-one;propane.

Molecular Properties

Compound Name1,7-dimethylpurin-6-one;propane
PubChem CID142357897
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1,7-dimethylpurin-6-one;propane
SMILESCCC.Cn1cnc2ncn(C)c2c1=O
InChIInChI=1S/C7H8N4O.C3H8/c1-10-3-8-6-5(10)7(12)11(2)4-9-6;1-3-2/h3-4H,1-2H3;3H2,1-2H3
InChIKeyQHAZBDOFHSEYHZ-UHFFFAOYSA-N
XLogP1.08
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-1-methylpurin-6-one
CID 14192026
7-methyl-1-(2-sulfanylpropan-2-yl)purin-6-one
CID 155151410
1,7,9-trimethylpurin-9-ium-6-one
CID 10406096
1-(1λ3-ioda-3-oxa-2,5-diazacyclopenta-1,4-dien-4-ylmethyl)-7-methylpurin-6-one
CID 163961021
1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one
CID 46835268
2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one
CID 139494731
1,3,7-trimethylpurine-2,6-dione
CID 131953138
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one
CID 143767822
6-chloro-3-methylpteridin-4-one
CID 91621946
ethane-1,2-diol;1,3,7-trimethylpurine-2,6-dione
CID 122445304
1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one
CID 101399326

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylpurin-6-one;propane?
The IUPAC name of 1,7-dimethylpurin-6-one;propane (CID 142357897) is 1,7-dimethylpurin-6-one;propane.
What is the SMILES notation for 1,7-dimethylpurin-6-one;propane?
The canonical SMILES for 1,7-dimethylpurin-6-one;propane is CCC.Cn1cnc2ncn(C)c2c1=O.
What is the InChIKey of 1,7-dimethylpurin-6-one;propane?
The InChIKey is QHAZBDOFHSEYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.C3H8/c1-10-3-8-6-5(10)7(12)11(2)4-9-6;1-3-2/h3-4H,1-2H3;3H2,1-2H3.
What are the key properties of 1,7-dimethylpurin-6-one;propane?
1,7-dimethylpurin-6-one;propane has a molecular weight of 208.26 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylpurin-6-one;propane is sourced from PubChem (CID 142357897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).