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

C8H12N4O — CID 83863070

IUPAC4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESCN(C)c1nc(=O)[nH]c2c1CNC2
InChIInChI=1S/C8H12N4O/c1-12(2)7-5-3-9-4-6(5)10-8(13)11-7/h9H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyQDKOJQWATKYPBE-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.56
Rot. Bonds1

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

4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (PubChem CID 83863070) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
PubChem CID83863070
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESCN(C)c1nc(=O)[nH]c2c1CNC2
InChIInChI=1S/C8H12N4O/c1-12(2)7-5-3-9-4-6(5)10-8(13)11-7/h9H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyQDKOJQWATKYPBE-UHFFFAOYSA-N
XLogP-0.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-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-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (CID 83863070) is 4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is CN(C)c1nc(=O)[nH]c2c1CNC2.
What is the InChIKey of 4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The InChIKey is QDKOJQWATKYPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12(2)7-5-3-9-4-6(5)10-8(13)11-7/h9H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83863070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).