3,7-dimethyl-8,9-dihydropurin-6-one

C7H10N4O — CID 174323807

IUPAC3,7-dimethyl-8,9-dihydropurin-6-one
SMILESCN1CNc2c1c(=O)ncn2C
InChIInChI=1S/C7H10N4O/c1-10-3-8-6-5(10)7(12)9-4-11(6)2/h4,8H,3H2,1-2H3
InChIKeyKALKIOYKWFYMSM-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.40
Rot. Bonds

About 3,7-dimethyl-8,9-dihydropurin-6-one

3,7-dimethyl-8,9-dihydropurin-6-one (PubChem CID 174323807) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 3,7-dimethyl-8,9-dihydropurin-6-one.

Molecular Properties

Compound Name3,7-dimethyl-8,9-dihydropurin-6-one
PubChem CID174323807
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name3,7-dimethyl-8,9-dihydropurin-6-one
SMILESCN1CNc2c1c(=O)ncn2C
InChIInChI=1S/C7H10N4O/c1-10-3-8-6-5(10)7(12)9-4-11(6)2/h4,8H,3H2,1-2H3
InChIKeyKALKIOYKWFYMSM-UHFFFAOYSA-N
XLogP-0.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N,9-dimethyl-2,3-dihydro-1H-purin-6-imine
CID 148696430
2,9-dimethyl-3,6-dihydropurine
CID 142059765
3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one
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5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one
CID 155349023
9-methyl-3,6-dihydropurin-6-amine
CID 59926192
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464
1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one
CID 116980895
1,5-dimethylimidazo[4,5-c]pyridin-4-one
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CID 91420197

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-8,9-dihydropurin-6-one?
The IUPAC name of 3,7-dimethyl-8,9-dihydropurin-6-one (CID 174323807) is 3,7-dimethyl-8,9-dihydropurin-6-one.
What is the SMILES notation for 3,7-dimethyl-8,9-dihydropurin-6-one?
The canonical SMILES for 3,7-dimethyl-8,9-dihydropurin-6-one is CN1CNc2c1c(=O)ncn2C.
What is the InChIKey of 3,7-dimethyl-8,9-dihydropurin-6-one?
The InChIKey is KALKIOYKWFYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-10-3-8-6-5(10)7(12)9-4-11(6)2/h4,8H,3H2,1-2H3.
What are the key properties of 3,7-dimethyl-8,9-dihydropurin-6-one?
3,7-dimethyl-8,9-dihydropurin-6-one has a molecular weight of 166.18 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8,9-dihydropurin-6-one is sourced from PubChem (CID 174323807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).