4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine

C16H15N7O2 — CID 121401335

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1nc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
InChIInChI=1S/C16H15N7O2/c1-10-19-13(22-25-10)9-24-15-14-12(20-16(17)21-15)5-7-23(14)8-11-4-2-3-6-18-11/h2-7H,8-9H2,1H3,(H2,17,20,21)
InChIKeyIDAXSJSJUWMJSI-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.73
Rot. Bonds5

About 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 121401335) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID121401335
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1nc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
InChIInChI=1S/C16H15N7O2/c1-10-19-13(22-25-10)9-24-15-14-12(20-16(17)21-15)5-7-23(14)8-11-4-2-3-6-18-11/h2-7H,8-9H2,1H3,(H2,17,20,21)
InChIKeyIDAXSJSJUWMJSI-UHFFFAOYSA-N
XLogP1.73
TPSA117.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine (CID 121401335) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine is Cc1nc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is IDAXSJSJUWMJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-10-19-13(22-25-10)9-24-15-14-12(20-16(17)21-15)5-7-23(14)8-11-4-2-3-6-18-11/h2-7H,8-9H2,1H3,(H2,17,20,21).
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 337.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 121401335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).