2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde

C7H7N5O2 — CID 10442585

IUPAC2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde
SMILESNC1=NC2N=CC(C=O)=NC2C(=O)N1
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2,4-5H,(H3,8,11,12,14)
InChIKeyUAZVLSRWAAXWIA-UHFFFAOYSA-N
MW193.17 g/mol
LogP-2.15
Rot. Bonds1

About 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde

2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde (PubChem CID 10442585) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde
PubChem CID10442585
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde
SMILESNC1=NC2N=CC(C=O)=NC2C(=O)N1
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2,4-5H,(H3,8,11,12,14)
InChIKeyUAZVLSRWAAXWIA-UHFFFAOYSA-N
XLogP-2.15
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde
CID 135566268
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
2-imino-4-oxo-4aH-pteridine-6-carbaldehyde
CID 156592375

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde?
The IUPAC name of 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde (CID 10442585) is 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde.
What is the SMILES notation for 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde?
The canonical SMILES for 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde is NC1=NC2N=CC(C=O)=NC2C(=O)N1.
What is the InChIKey of 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde?
The InChIKey is UAZVLSRWAAXWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2,4-5H,(H3,8,11,12,14).
What are the key properties of 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde?
2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde has a molecular weight of 193.17 g/mol, XLogP of -2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde is sourced from PubChem (CID 10442585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).