4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde

C7H5N3O2 — CID 135408953

IUPAC4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde
SMILESO=Cc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C7H5N3O2/c11-2-4-1-8-6-5(4)9-3-10-7(6)12/h1-3,8H,(H,9,10,12)
InChIKeyBVRXDFFPQAIFFP-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.06
Rot. Bonds1

About 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde

4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde (PubChem CID 135408953) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde.

Molecular Properties

Compound Name4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde
PubChem CID135408953
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde
SMILESO=Cc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C7H5N3O2/c11-2-4-1-8-6-5(4)9-3-10-7(6)12/h1-3,8H,(H,9,10,12)
InChIKeyBVRXDFFPQAIFFP-UHFFFAOYSA-N
XLogP0.06
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde 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

9-Deazahypoxanthine
CID 135488881
7-({[2-Hydroxy-1-(Hydroxymethyl)ethyl]amino}methyl)-3,5-Dihydro-4h-Pyrrolo[3,2-D]pyrimidin-4-One
CID 135723758
7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135783310
7-{[2-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135783314
7-{[3-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135783311
(3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid
CID 136252807
2-((4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 135723753
7-{[(1,3-Dihydroxypropan-2-yl)(2-hydroxyethyl)amino]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135858782
7-[[[(2R,3S)-3,4-dihydroxy-2-(hydroxymethyl)butyl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135858786
7-[[[3,4-Dihydroxy-2-(hydroxymethyl)butyl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135914706
2-Amino-7-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 136036205
7-{[(2R,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135783313

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde?
The IUPAC name of 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde (CID 135408953) is 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde.
What is the SMILES notation for 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde?
The canonical SMILES for 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde is O=Cc1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde?
The InChIKey is BVRXDFFPQAIFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-2-4-1-8-6-5(4)9-3-10-7(6)12/h1-3,8H,(H,9,10,12).
What are the key properties of 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde?
4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde has a molecular weight of 163.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 135408953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).