3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole

C15H21N5O — CID 56712810

IUPAC3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)Cc1ncc2c(n1)CN(c1noc(C(C)C)n1)C2
InChIInChI=1S/C15H21N5O/c1-9(2)5-13-16-6-11-7-20(8-12(11)17-13)15-18-14(10(3)4)21-19-15/h6,9-10H,5,7-8H2,1-4H3
InChIKeyPAIGLOHHNGGSKM-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.70
Rot. Bonds4

About 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole

3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56712810) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID56712810
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)Cc1ncc2c(n1)CN(c1noc(C(C)C)n1)C2
InChIInChI=1S/C15H21N5O/c1-9(2)5-13-16-6-11-7-20(8-12(11)17-13)15-18-14(10(3)4)21-19-15/h6,9-10H,5,7-8H2,1-4H3
InChIKeyPAIGLOHHNGGSKM-UHFFFAOYSA-N
XLogP2.70
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole 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 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 56712810) is 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)Cc1ncc2c(n1)CN(c1noc(C(C)C)n1)C2.
What is the InChIKey of 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is PAIGLOHHNGGSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(2)5-13-16-6-11-7-20(8-12(11)17-13)15-18-14(10(3)4)21-19-15/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 287.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56712810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).