6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine

C15H17N7 — CID 56714095

IUPAC6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine
SMILESCC(C)Cc1ncc2c(n1)CN(c1ncnc3nc[nH]c13)C2
InChIInChI=1S/C15H17N7/c1-9(2)3-12-16-4-10-5-22(6-11(10)21-12)15-13-14(18-7-17-13)19-8-20-15/h4,7-9H,3,5-6H2,1-2H3,(H,17,18,19,20)
InChIKeyHYDTZRSPLFSHSI-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.86
Rot. Bonds3

About 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine

6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine (PubChem CID 56714095) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine.

Molecular Properties

Compound Name6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine
PubChem CID56714095
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine
SMILESCC(C)Cc1ncc2c(n1)CN(c1ncnc3nc[nH]c13)C2
InChIInChI=1S/C15H17N7/c1-9(2)3-12-16-4-10-5-22(6-11(10)21-12)15-13-14(18-7-17-13)19-8-20-15/h4,7-9H,3,5-6H2,1-2H3,(H,17,18,19,20)
InChIKeyHYDTZRSPLFSHSI-UHFFFAOYSA-N
XLogP1.86
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine?
The IUPAC name of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine (CID 56714095) is 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine.
What is the SMILES notation for 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine?
The canonical SMILES for 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine is CC(C)Cc1ncc2c(n1)CN(c1ncnc3nc[nH]c13)C2.
What is the InChIKey of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine?
The InChIKey is HYDTZRSPLFSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-9(2)3-12-16-4-10-5-22(6-11(10)21-12)15-13-14(18-7-17-13)19-8-20-15/h4,7-9H,3,5-6H2,1-2H3,(H,17,18,19,20).
What are the key properties of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine?
6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine has a molecular weight of 295.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-7H-purine is sourced from PubChem (CID 56714095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).