2-imino-4-oxo-4aH-pteridine-6-carbaldehyde

C7H5N5O2 — CID 156592375

IUPAC2-imino-4-oxo-4aH-pteridine-6-carbaldehyde
SMILES[H]/N=C1\N=C2N=CC(C=O)=NC2C(=O)N1
InChIInChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2,4H,(H2,8,12,14)
InChIKeyOSQLMFNLIWILSI-UHFFFAOYSA-N
MW191.15 g/mol
LogP-1.46
Rot. Bonds1

About 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde

2-imino-4-oxo-4aH-pteridine-6-carbaldehyde (PubChem CID 156592375) has the molecular formula C7H5N5O2 and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde.

Molecular Properties

Compound Name2-imino-4-oxo-4aH-pteridine-6-carbaldehyde
PubChem CID156592375
Molecular FormulaC7H5N5O2
Molecular Weight191.15 g/mol
Exact Mass191.04
IUPAC Name2-imino-4-oxo-4aH-pteridine-6-carbaldehyde
SMILES[H]/N=C1\N=C2N=CC(C=O)=NC2C(=O)N1
InChIInChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2,4H,(H2,8,12,14)
InChIKeyOSQLMFNLIWILSI-UHFFFAOYSA-N
XLogP-1.46
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-imino-4-oxo-4aH-pteridine-6-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

(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde
CID 135566268
2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde
CID 10442585
4a,8-Dihydropteridine-2,4,7-trione
CID 23422163
4,7-Dioxo-4a,8-dihydropteridine-6-carbaldehyde
CID 23422183
N-(6-formyl-4-oxo-4aH-pteridin-2-yl)acetamide
CID 78177343
2-methylimino-4aH-pteridin-4-one
CID 135755319
(2E)-2-hydrazinylidene-4aH-pteridin-4-one
CID 136272060
2-amino-4a,7-dihydro-3H-pteridin-4-one
CID 136880795
2-imino-6-methyl-4aH-pteridin-4-one
CID 137699400
7-ethyl-2-imino-4aH-pteridin-4-one
CID 156595026

Frequently Asked Questions

What is the IUPAC name of 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde?
The IUPAC name of 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde (CID 156592375) is 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde.
What is the SMILES notation for 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde?
The canonical SMILES for 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde is [H]/N=C1\N=C2N=CC(C=O)=NC2C(=O)N1.
What is the InChIKey of 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde?
The InChIKey is OSQLMFNLIWILSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2,4H,(H2,8,12,14).
What are the key properties of 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde?
2-imino-4-oxo-4aH-pteridine-6-carbaldehyde has a molecular weight of 191.15 g/mol, XLogP of -1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-oxo-4aH-pteridine-6-carbaldehyde is sourced from PubChem (CID 156592375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).