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

C15H21N5O — CID 56707871

IUPAC3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(N2Cc3cnc(CC(C)C)nc3C2)no1
InChIInChI=1S/C15H21N5O/c1-4-5-14-18-15(19-21-14)20-8-11-7-16-13(6-10(2)3)17-12(11)9-20/h7,10H,4-6,8-9H2,1-3H3
InChIKeyKUAJTBSPCRFOSB-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.53
Rot. Bonds5

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

3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole (PubChem CID 56707871) 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-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole
PubChem CID56707871
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-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(N2Cc3cnc(CC(C)C)nc3C2)no1
InChIInChI=1S/C15H21N5O/c1-4-5-14-18-15(19-21-14)20-8-11-7-16-13(6-10(2)3)17-12(11)9-20/h7,10H,4-6,8-9H2,1-3H3
InChIKeyKUAJTBSPCRFOSB-UHFFFAOYSA-N
XLogP2.53
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole with MolForge

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Related Compounds

6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
1-(2-oxo-2-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethyl)pyrrolidine-2,5-dione
CID 71805766
2,2-dimethyl-1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 71805746
2-isobutyl-6-(5-isopropyl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56712810
5-Methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-1,2,4-oxadiazole
CID 56721517
5-Ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-YL)methyl]-N-methylpyrimidin-2-amine
CID 72914035
1-(5,7-Dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)ethan-1-one
CID 277271
2-isobutyl-6-(1H-1,2,4-triazol-1-ylacetyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56739379
2-isobutyl-6-(2H-tetrazol-2-ylacetyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56741020
2-isobutyl-6-[3-(1H-tetrazol-1-yl)propanoyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745642
2-isobutyl-6-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56748999
2-tert-butyl-6-[(2S)-2-(1H-tetrazol-1-yl)propanoyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56757493

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole (CID 56707871) is 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(N2Cc3cnc(CC(C)C)nc3C2)no1.
What is the InChIKey of 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is KUAJTBSPCRFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-5-14-18-15(19-21-14)20-8-11-7-16-13(6-10(2)3)17-12(11)9-20/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole?
3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 287.37 g/mol, XLogP of 2.53, 5 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-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 56707871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).