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

C9H13N3O — CID 83875160

IUPAC3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCCn1c(C)nc2c(c1=O)CNC2
InChIInChI=1S/C9H13N3O/c1-3-12-6(2)11-8-5-10-4-7(8)9(12)13/h10H,3-5H2,1-2H3
InChIKeyWBXZQWIEVWTZCN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.17
Rot. Bonds1

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

3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 83875160) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID83875160
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCCn1c(C)nc2c(c1=O)CNC2
InChIInChI=1S/C9H13N3O/c1-3-12-6(2)11-8-5-10-4-7(8)9(12)13/h10H,3-5H2,1-2H3
InChIKeyWBXZQWIEVWTZCN-UHFFFAOYSA-N
XLogP0.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (CID 83875160) is 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is CCn1c(C)nc2c(c1=O)CNC2.
What is the InChIKey of 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is WBXZQWIEVWTZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-12-6(2)11-8-5-10-4-7(8)9(12)13/h10H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 83875160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).