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

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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
2-cyclopropyl-5H,6H,7H-pyrrolo(3,4-d)pyrimidin-4-ol dihydrochloride
CID 137091720
(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
2-Cyclopropyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108516
2-Isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108517
tert-Butyl 2-cyclopropyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6(4H)-carboxylate
CID 137229718
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

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).