2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one

C12H17N3O — CID 83888977

IUPAC2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(C)n1c(C2CC2)nc2c(c1=O)CNC2
InChIInChI=1S/C12H17N3O/c1-7(2)15-11(8-3-4-8)14-10-6-13-5-9(10)12(15)16/h7-8,13H,3-6H2,1-2H3
InChIKeyXGXAVVXRMFXZAZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.30
Rot. Bonds2

About 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one

2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 83888977) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID83888977
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(C)n1c(C2CC2)nc2c(c1=O)CNC2
InChIInChI=1S/C12H17N3O/c1-7(2)15-11(8-3-4-8)14-10-6-13-5-9(10)12(15)16/h7-8,13H,3-6H2,1-2H3
InChIKeyXGXAVVXRMFXZAZ-UHFFFAOYSA-N
XLogP1.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (CID 83888977) is 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is CC(C)n1c(C2CC2)nc2c(c1=O)CNC2.
What is the InChIKey of 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is XGXAVVXRMFXZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)15-11(8-3-4-8)14-10-6-13-5-9(10)12(15)16/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 83888977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).