2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one

C8H11N3O — CID 51072226

IUPAC2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCC1=NC2=C(CNC2)C(=O)N1C
InChIInChI=1S/C8H11N3O/c1-5-10-7-4-9-3-6(7)8(12)11(5)2/h9H,3-4H2,1-2H3
InChIKeyCXJSIFQTPYTLDQ-UHFFFAOYSA-N
MW165.19 g/mol
LogP-1.60
Rot. Bonds

About 2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one

2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one (PubChem CID 51072226) has the molecular formula C8H11N3O and a molecular weight of 165.19 g/mol. Its IUPAC name is 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
PubChem CID51072226
Molecular FormulaC8H11N3O
Molecular Weight165.19 g/mol
Exact Mass165.09
IUPAC Name2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCC1=NC2=C(CNC2)C(=O)N1C
InChIInChI=1S/C8H11N3O/c1-5-10-7-4-9-3-6(7)8(12)11(5)2/h9H,3-4H2,1-2H3
InChIKeyCXJSIFQTPYTLDQ-UHFFFAOYSA-N
XLogP-1.60
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity303

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 135534591
2,3-Dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo(3,4-d)pyrimidin-4-one dihydrochloride hydrate
CID 75530977
2-methyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 136666284
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol dihydrochloride
CID 137171590
(2S)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
CID 125168747
1,5,6,7-Tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 135416897
2-Methyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108511
2-methyl-6-(2,2,2-trifluoroacetyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137308006
3-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83888505
2-methyl-3-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83895444
2-Cyclopropyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108516
2-(aminomethyl)-6-(2,2,2-trifluoroethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136311424

Frequently Asked Questions

What is the IUPAC name of 2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one?
The IUPAC name of 2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one (CID 51072226) is 2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one?
The canonical SMILES for 2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one is CC1=NC2=C(CNC2)C(=O)N1C.
What is the InChIKey of 2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one?
The InChIKey is CXJSIFQTPYTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-10-7-4-9-3-6(7)8(12)11(5)2/h9H,3-4H2,1-2H3.
What are the key properties of 2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one?
2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one has a molecular weight of 165.19 g/mol, XLogP of -1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one is sourced from PubChem (CID 51072226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).