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

C17H16N6O2 — CID 121401340

IUPAC4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
InChIInChI=1S/C17H16N6O2/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22)
InChIKeySOQXYEGWTMCTSF-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.33
Rot. Bonds5

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

4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 121401340) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID121401340
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
InChIInChI=1S/C17H16N6O2/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22)
InChIKeySOQXYEGWTMCTSF-UHFFFAOYSA-N
XLogP2.33
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(5-methyl-1,3-oxazol-2-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-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine (CID 121401340) is 4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine is Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)o1.
What is the InChIKey of 4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is SOQXYEGWTMCTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22).
What are the key properties of 4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 336.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-oxazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 121401340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).