(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate

C8H7N3O3 — CID 175257891

IUPAC(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate
SMILESCC(=O)Oc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C8H7N3O3/c1-4(12)14-5-2-9-7-6(5)10-3-11-8(7)13/h2-3,9H,1H3,(H,10,11,13)
InChIKeyNAIGDRWEWAGZPR-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.18
Rot. Bonds1

About (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate

(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate (PubChem CID 175257891) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate.

Molecular Properties

Compound Name(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate
PubChem CID175257891
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate
SMILESCC(=O)Oc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C8H7N3O3/c1-4(12)14-5-2-9-7-6(5)10-3-11-8(7)13/h2-3,9H,1H3,(H,10,11,13)
InChIKeyNAIGDRWEWAGZPR-UHFFFAOYSA-N
XLogP0.18
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-7-phenoxy-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135480573
4-Hydroxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl 2,2-dimethylpropanoate
CID 135620569
Methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate
CID 141038592
[5-(aminomethylidenecarbamoyl)-4-methyl-1H-pyrrol-3-yl] 2,2-dimethylpropanoate
CID 143164424
ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
CID 166516945
ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate
CID 166516946
ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
CID 166516983
(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate
CID 174486750
methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
CID 175343008
(6-Chloro-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate
CID 175374530
methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
CID 175811808
7-hydroxy-3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 176031800

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate?
The IUPAC name of (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate (CID 175257891) is (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate.
What is the SMILES notation for (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate?
The canonical SMILES for (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate is CC(=O)Oc1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate?
The InChIKey is NAIGDRWEWAGZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-4(12)14-5-2-9-7-6(5)10-3-11-8(7)13/h2-3,9H,1H3,(H,10,11,13).
What are the key properties of (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate?
(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate has a molecular weight of 193.16 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate is sourced from PubChem (CID 175257891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).