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

C16H21N3O — CID 56745369

IUPACcyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)C1=CCCC1)C2
InChIInChI=1S/C16H21N3O/c1-11(2)7-15-17-8-13-9-19(10-14(13)18-15)16(20)12-5-3-4-6-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyXJTIIOZTQMJAST-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds3

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

cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (PubChem CID 56745369) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
PubChem CID56745369
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Namecyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)C1=CCCC1)C2
InChIInChI=1S/C16H21N3O/c1-11(2)7-15-17-8-13-9-19(10-14(13)18-15)16(20)12-5-3-4-6-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyXJTIIOZTQMJAST-UHFFFAOYSA-N
XLogP2.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (CID 56745369) is cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is CC(C)Cc1ncc2c(n1)CN(C(=O)C1=CCCC1)C2.
What is the InChIKey of cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The InChIKey is XJTIIOZTQMJAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)7-15-17-8-13-9-19(10-14(13)18-15)16(20)12-5-3-4-6-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone has a molecular weight of 271.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 56745369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).