2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one

C9H10N4O — CID 754902

IUPAC2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one
SMILESCn1cnc2nc3n(c2c1=O)CCC3
InChIInChI=1S/C9H10N4O/c1-12-5-10-8-7(9(12)14)13-4-2-3-6(13)11-8/h5H,2-4H2,1H3
InChIKeyJYUFVHUEDSGZDL-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.08
Rot. Bonds

About 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one

2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one (PubChem CID 754902) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one.

Molecular Properties

Compound Name2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one
PubChem CID754902
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one
SMILESCn1cnc2nc3n(c2c1=O)CCC3
InChIInChI=1S/C9H10N4O/c1-12-5-10-8-7(9(12)14)13-4-2-3-6(13)11-8/h5H,2-4H2,1H3
InChIKeyJYUFVHUEDSGZDL-UHFFFAOYSA-N
XLogP0.08
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione
CID 64115
9-Ethylguanine
CID 135415584
2-(4-oxo-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-f]purin-3-yl)acetamide
CID 900107
Ait-034
CID 135484546
3,7-Dimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione
CID 1084962
1,3-Dimethyl-7-pentyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione
CID 3145164
1,3,7-Trimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione
CID 228631
7-butyl-6-hydroxy-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one
CID 3457383
1,7-Dimethylhypoxanthine
CID 92289
1H-Imidazo(2,1-f)purine-2,4(3H,6H)-dione, 7,8-dihydro-8-allyl-1,3-dimethyl-
CID 206725
(4-oxo-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-f]purin-3-yl)acetic acid
CID 7326920
3,4,8,9-tetrahydropyrrolo[1',2':1,2]imidazo[4,5-e][1,4]diazepine-2,5(1H,7H)-dione
CID 648401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one?
The IUPAC name of 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one (CID 754902) is 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one.
What is the SMILES notation for 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one?
The canonical SMILES for 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one is Cn1cnc2nc3n(c2c1=O)CCC3.
What is the InChIKey of 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one?
The InChIKey is JYUFVHUEDSGZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12-5-10-8-7(9(12)14)13-4-2-3-6(13)11-8/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one?
2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one has a molecular weight of 190.21 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one is sourced from PubChem (CID 754902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).