4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one

C7H10N4O — CID 83862285

IUPAC4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESNCc1nc(=O)[nH]c2c1CNC2
InChIInChI=1S/C7H10N4O/c8-1-5-4-2-9-3-6(4)11-7(12)10-5/h9H,1-3,8H2,(H,10,11,12)
InChIKeyARUXZOQOSIKWTE-UHFFFAOYSA-N
MW166.18 g/mol
LogP-1.17
Rot. Bonds1

About 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one

4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (PubChem CID 83862285) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
PubChem CID83862285
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESNCc1nc(=O)[nH]c2c1CNC2
InChIInChI=1S/C7H10N4O/c8-1-5-4-2-9-3-6(4)11-7(12)10-5/h9H,1-3,8H2,(H,10,11,12)
InChIKeyARUXZOQOSIKWTE-UHFFFAOYSA-N
XLogP-1.17
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-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 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (CID 83862285) is 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is NCc1nc(=O)[nH]c2c1CNC2.
What is the InChIKey of 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The InChIKey is ARUXZOQOSIKWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-1-5-4-2-9-3-6(4)11-7(12)10-5/h9H,1-3,8H2,(H,10,11,12).
What are the key properties of 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one has a molecular weight of 166.18 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).