2-amino-4-benzylpteridine-6-carbaldehyde

C14H11N5O — CID 91017571

IUPAC2-amino-4-benzylpteridine-6-carbaldehyde
SMILESNc1nc(Cc2ccccc2)c2nc(C=O)cnc2n1
InChIInChI=1S/C14H11N5O/c15-14-18-11(6-9-4-2-1-3-5-9)12-13(19-14)16-7-10(8-20)17-12/h1-5,7-8H,6H2,(H2,15,16,18,19)
InChIKeyOLPDRXDNMBMYJV-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-4-benzylpteridine-6-carbaldehyde

2-amino-4-benzylpteridine-6-carbaldehyde (PubChem CID 91017571) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-amino-4-benzylpteridine-6-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-benzylpteridine-6-carbaldehyde
PubChem CID91017571
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-amino-4-benzylpteridine-6-carbaldehyde
SMILESNc1nc(Cc2ccccc2)c2nc(C=O)cnc2n1
InChIInChI=1S/C14H11N5O/c15-14-18-11(6-9-4-2-1-3-5-9)12-13(19-14)16-7-10(8-20)17-12/h1-5,7-8H,6H2,(H2,15,16,18,19)
InChIKeyOLPDRXDNMBMYJV-UHFFFAOYSA-N
XLogP1.41
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-diaminopteridine-6-carbaldehyde
CID 3080607
6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine
CID 13472696
2-amino-4-oxo-3H-pteridine-6-carbaldehyde
CID 135409352
azane;6-benzyl-7H-purin-2-amine;nitric acid
CID 174901949
4-benzyl-6,7-dimethylpteridine
CID 154180418
2-amino-4,5-dibenzyl-6H-quinazoline-5-carbaldehyde
CID 174611930
5-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-2-methoxybenzaldehyde
CID 87622899
4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol
CID 137240755
3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide
CID 68915324
4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
CID 68913046
N-[4-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)phenyl]-4-oxobutanamide
CID 87622044
5-benzyl-6-chloropyrimidine-2,4-diamine
CID 45071766

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-benzylpteridine-6-carbaldehyde?
The IUPAC name of 2-amino-4-benzylpteridine-6-carbaldehyde (CID 91017571) is 2-amino-4-benzylpteridine-6-carbaldehyde.
What is the SMILES notation for 2-amino-4-benzylpteridine-6-carbaldehyde?
The canonical SMILES for 2-amino-4-benzylpteridine-6-carbaldehyde is Nc1nc(Cc2ccccc2)c2nc(C=O)cnc2n1.
What is the InChIKey of 2-amino-4-benzylpteridine-6-carbaldehyde?
The InChIKey is OLPDRXDNMBMYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-14-18-11(6-9-4-2-1-3-5-9)12-13(19-14)16-7-10(8-20)17-12/h1-5,7-8H,6H2,(H2,15,16,18,19).
What are the key properties of 2-amino-4-benzylpteridine-6-carbaldehyde?
2-amino-4-benzylpteridine-6-carbaldehyde has a molecular weight of 265.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-benzylpteridine-6-carbaldehyde is sourced from PubChem (CID 91017571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).