3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one

C12H17N3O — CID 83888981

IUPAC3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C1CCCC1)CNC2
InChIInChI=1S/C12H17N3O/c1-8-14-11-7-13-6-10(11)12(16)15(8)9-4-2-3-5-9/h9,13H,2-7H2,1H3
InChIKeyLHRCJXPOFLQSJQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.27
Rot. Bonds1

About 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one

3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 83888981) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID83888981
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C1CCCC1)CNC2
InChIInChI=1S/C12H17N3O/c1-8-14-11-7-13-6-10(11)12(16)15(8)9-4-2-3-5-9/h9,13H,2-7H2,1H3
InChIKeyLHRCJXPOFLQSJQ-UHFFFAOYSA-N
XLogP1.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo(3,4-d)pyrimidin-4-one dihydrochloride hydrate
CID 75530977
(2S)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
CID 125168747
2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 51072226
2-methyl-3-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83895444
N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide
CID 142708892
1,5,8-Triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 145047446
Ethane;5-methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 145047544
2,6-di(propan-2-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 169303468
3-(2-Aminobutyl)-2,5,6-trimethylpyrimidin-4-one
CID 82168037
3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83875160
3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83877792
3-methyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83878475

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (CID 83888981) is 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C1CCCC1)CNC2.
What is the InChIKey of 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is LHRCJXPOFLQSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-14-11-7-13-6-10(11)12(16)15(8)9-4-2-3-5-9/h9,13H,2-7H2,1H3.
What are the key properties of 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 83888981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).