2-amino-4-phenylmethoxypteridine-6-carbaldehyde

C14H11N5O2 — CID 11312050

IUPAC2-amino-4-phenylmethoxypteridine-6-carbaldehyde
SMILESNc1nc(OCc2ccccc2)c2nc(C=O)cnc2n1
InChIInChI=1S/C14H11N5O2/c15-14-18-12-11(17-10(7-20)6-16-12)13(19-14)21-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,16,18,19)
InChIKeyGFDDRZDROMQXML-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.39
Rot. Bonds4

About 2-amino-4-phenylmethoxypteridine-6-carbaldehyde

2-amino-4-phenylmethoxypteridine-6-carbaldehyde (PubChem CID 11312050) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-amino-4-phenylmethoxypteridine-6-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-phenylmethoxypteridine-6-carbaldehyde
PubChem CID11312050
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name2-amino-4-phenylmethoxypteridine-6-carbaldehyde
SMILESNc1nc(OCc2ccccc2)c2nc(C=O)cnc2n1
InChIInChI=1S/C14H11N5O2/c15-14-18-12-11(17-10(7-20)6-16-12)13(19-14)21-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,16,18,19)
InChIKeyGFDDRZDROMQXML-UHFFFAOYSA-N
XLogP1.39
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylmethoxypteridine-6-carbaldehyde?
The IUPAC name of 2-amino-4-phenylmethoxypteridine-6-carbaldehyde (CID 11312050) is 2-amino-4-phenylmethoxypteridine-6-carbaldehyde.
What is the SMILES notation for 2-amino-4-phenylmethoxypteridine-6-carbaldehyde?
The canonical SMILES for 2-amino-4-phenylmethoxypteridine-6-carbaldehyde is Nc1nc(OCc2ccccc2)c2nc(C=O)cnc2n1.
What is the InChIKey of 2-amino-4-phenylmethoxypteridine-6-carbaldehyde?
The InChIKey is GFDDRZDROMQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-14-18-12-11(17-10(7-20)6-16-12)13(19-14)21-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,16,18,19).
What are the key properties of 2-amino-4-phenylmethoxypteridine-6-carbaldehyde?
2-amino-4-phenylmethoxypteridine-6-carbaldehyde has a molecular weight of 281.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylmethoxypteridine-6-carbaldehyde is sourced from PubChem (CID 11312050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).