2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C18H16N6O — CID 134293760

IUPAC2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESC=Cc1nc(NCc2ncco2)c2c(ccn2Cc2ccccn2)n1
InChIInChI=1S/C18H16N6O/c1-2-15-22-14-6-9-24(12-13-5-3-4-7-19-13)17(14)18(23-15)21-11-16-20-8-10-25-16/h2-10H,1,11-12H2,(H,21,22,23)
InChIKeyJVLZRWXZTOKWCM-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.12
Rot. Bonds6

About 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 134293760) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID134293760
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESC=Cc1nc(NCc2ncco2)c2c(ccn2Cc2ccccn2)n1
InChIInChI=1S/C18H16N6O/c1-2-15-22-14-6-9-24(12-13-5-3-4-7-19-13)17(14)18(23-15)21-11-16-20-8-10-25-16/h2-10H,1,11-12H2,(H,21,22,23)
InChIKeyJVLZRWXZTOKWCM-UHFFFAOYSA-N
XLogP3.12
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 134293760) is 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is C=Cc1nc(NCc2ncco2)c2c(ccn2Cc2ccccn2)n1.
What is the InChIKey of 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is JVLZRWXZTOKWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-15-22-14-6-9-24(12-13-5-3-4-7-19-13)17(14)18(23-15)21-11-16-20-8-10-25-16/h2-10H,1,11-12H2,(H,21,22,23).
What are the key properties of 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 134293760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).