2-amino-4-oxo-3H-pteridine-6-carbaldehyde

C7H5N5O2 — CID 135409352

IUPAC2-amino-4-oxo-3H-pteridine-6-carbaldehyde
SMILESNc1nc2ncc(C=O)nc2c(=O)[nH]1
InChIInChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)
InChIKeyLLJAQDVNMGLRBD-UHFFFAOYSA-N
MW191.15 g/mol
LogP-0.89
Rot. Bonds1

About 2-amino-4-oxo-3H-pteridine-6-carbaldehyde

2-amino-4-oxo-3H-pteridine-6-carbaldehyde (PubChem CID 135409352) has the molecular formula C7H5N5O2 and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-amino-4-oxo-3H-pteridine-6-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-oxo-3H-pteridine-6-carbaldehyde
PubChem CID135409352
Molecular FormulaC7H5N5O2
Molecular Weight191.15 g/mol
Exact Mass191.04
IUPAC Name2-amino-4-oxo-3H-pteridine-6-carbaldehyde
SMILESNc1nc2ncc(C=O)nc2c(=O)[nH]1
InChIInChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)
InChIKeyLLJAQDVNMGLRBD-UHFFFAOYSA-N
XLogP-0.89
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 5-0.89
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

2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde
CID 135604539
2,4-diaminopteridine-6-carbaldehyde
CID 3080607
2-amino-3H-pteridin-4-one;azane
CID 174295951
N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide
CID 135967978
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
CID 137234292
2-amino-6-(1,2,3-trihydroxypropyl)-3H-pteridin-4-one
CID 135408877
2-amino-6-(2-phenylethyl)-3H-pteridin-4-one
CID 135840208
2-amino-6-(hydroxymethyl)-3H-pteridin-4-one;phosphono dihydrogen phosphate
CID 135764586
2-amino-6-[(1-hydroxyethylamino)methyl]-3H-pteridin-4-one
CID 163537979
4-aminobenzoic acid;2-amino-6-methyl-3H-pteridin-4-one
CID 157066962
3-methyl-2H-pyrazolo[3,4-b]pyrazine-5-carbaldehyde
CID 169168327

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-3H-pteridine-6-carbaldehyde?
The IUPAC name of 2-amino-4-oxo-3H-pteridine-6-carbaldehyde (CID 135409352) is 2-amino-4-oxo-3H-pteridine-6-carbaldehyde.
What is the SMILES notation for 2-amino-4-oxo-3H-pteridine-6-carbaldehyde?
The canonical SMILES for 2-amino-4-oxo-3H-pteridine-6-carbaldehyde is Nc1nc2ncc(C=O)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-4-oxo-3H-pteridine-6-carbaldehyde?
The InChIKey is LLJAQDVNMGLRBD-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/h1-2H,(H3,8,9,11,12,14).
What are the key properties of 2-amino-4-oxo-3H-pteridine-6-carbaldehyde?
2-amino-4-oxo-3H-pteridine-6-carbaldehyde has a molecular weight of 191.15 g/mol, XLogP of -0.89, 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-3H-pteridine-6-carbaldehyde is sourced from PubChem (CID 135409352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).