2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

C8H10N4O — CID 139393553

IUPAC2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCC1C=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C8H10N4O/c1-2-4-3-10-6-5(4)11-8(9)12-7(6)13/h3-4H,2H2,1H3,(H3,9,11,12,13)
InChIKeyMVGIDQHSYAWARQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.56
Rot. Bonds1

About 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 139393553) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID139393553
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCC1C=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C8H10N4O/c1-2-4-3-10-6-5(4)11-8(9)12-7(6)13/h3-4H,2H2,1H3,(H3,9,11,12,13)
InChIKeyMVGIDQHSYAWARQ-UHFFFAOYSA-N
XLogP0.56
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-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 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 139393553) is 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is CCC1C=Nc2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is MVGIDQHSYAWARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-4-3-10-6-5(4)11-8(9)12-7(6)13/h3-4H,2H2,1H3,(H3,9,11,12,13).
What are the key properties of 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 178.19 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 2-amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 139393553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).