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

C10H13N3O — CID 83877792

IUPAC3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C1CC1)CNC2
InChIInChI=1S/C10H13N3O/c1-6-12-9-5-11-4-8(9)10(14)13(6)7-2-3-7/h7,11H,2-5H2,1H3
InChIKeySAOCYMMZDYRNHN-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.49
Rot. Bonds1

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

3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 83877792) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID83877792
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C1CC1)CNC2
InChIInChI=1S/C10H13N3O/c1-6-12-9-5-11-4-8(9)10(14)13(6)7-2-3-7/h7,11H,2-5H2,1H3
InChIKeySAOCYMMZDYRNHN-UHFFFAOYSA-N
XLogP0.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.49
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-methyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 136666284
2-cyclopropyl-5H,6H,7H-pyrrolo(3,4-d)pyrimidin-4-ol dihydrochloride
CID 137091720
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
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108511
2-methyl-6-(2,2,2-trifluoroacetyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137308006
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
6-Tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 132040867
6-Ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 132046289

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (CID 83877792) is 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C1CC1)CNC2.
What is the InChIKey of 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is SAOCYMMZDYRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-12-9-5-11-4-8(9)10(14)13(6)7-2-3-7/h7,11H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 191.23 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 83877792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).