2,8-dimethyl-1,5-dihydropurin-6-one

C7H8N4O — CID 135754544

IUPAC2,8-dimethyl-1,5-dihydropurin-6-one
SMILESCC1=NC2C(=O)NC(C)=NC2=N1
InChIInChI=1S/C7H8N4O/c1-3-8-5-6(9-3)10-4(2)11-7(5)12/h5H,1-2H3,(H,8,9,10,11,12)
InChIKeyHCGMGSSYNIMYEA-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.27
Rot. Bonds

About 2,8-dimethyl-1,5-dihydropurin-6-one

2,8-dimethyl-1,5-dihydropurin-6-one (PubChem CID 135754544) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2,8-dimethyl-1,5-dihydropurin-6-one.

Molecular Properties

Compound Name2,8-dimethyl-1,5-dihydropurin-6-one
PubChem CID135754544
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2,8-dimethyl-1,5-dihydropurin-6-one
SMILESCC1=NC2C(=O)NC(C)=NC2=N1
InChIInChI=1S/C7H8N4O/c1-3-8-5-6(9-3)10-4(2)11-7(5)12/h5H,1-2H3,(H,8,9,10,11,12)
InChIKeyHCGMGSSYNIMYEA-UHFFFAOYSA-N
XLogP-0.27
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44292508
2-Fluoro-1,5-dihydropurin-6-one
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CID 347104
2-(2-Aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 10290843
2,4-Dimethyl-1,4-dihydroimidazol-5-one
CID 11571792
4-Methyl-2-propan-2-yl-1,4-dihydroimidazol-5-one
CID 18961683
2-methyl-4a,8a-dihydro-3H-pteridin-4-one
CID 20720864
2-(5-Oxo-1,4-dihydroimidazol-2-yl)acetamide
CID 22217190
2-Ethyl-5-methyl-1H-imidazol-4(5H)-one
CID 45092625
2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one
CID 58099815
5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one
CID 59149417
2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)
CID 59279704

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,5-dihydropurin-6-one?
The IUPAC name of 2,8-dimethyl-1,5-dihydropurin-6-one (CID 135754544) is 2,8-dimethyl-1,5-dihydropurin-6-one.
What is the SMILES notation for 2,8-dimethyl-1,5-dihydropurin-6-one?
The canonical SMILES for 2,8-dimethyl-1,5-dihydropurin-6-one is CC1=NC2C(=O)NC(C)=NC2=N1.
What is the InChIKey of 2,8-dimethyl-1,5-dihydropurin-6-one?
The InChIKey is HCGMGSSYNIMYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-3-8-5-6(9-3)10-4(2)11-7(5)12/h5H,1-2H3,(H,8,9,10,11,12).
What are the key properties of 2,8-dimethyl-1,5-dihydropurin-6-one?
2,8-dimethyl-1,5-dihydropurin-6-one has a molecular weight of 164.17 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,5-dihydropurin-6-one is sourced from PubChem (CID 135754544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).