2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C11H17N5 — CID 59493796

IUPAC2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCN1CCN(c2ncc3c(n2)CNC3)CC1
InChIInChI=1S/C11H17N5/c1-15-2-4-16(5-3-15)11-13-7-9-6-12-8-10(9)14-11/h7,12H,2-6,8H2,1H3
InChIKeyGCOXFRYAAVDBLS-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.17
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 59493796) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID59493796
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCN1CCN(c2ncc3c(n2)CNC3)CC1
InChIInChI=1S/C11H17N5/c1-15-2-4-16(5-3-15)11-13-7-9-6-12-8-10(9)14-11/h7,12H,2-6,8H2,1H3
InChIKeyGCOXFRYAAVDBLS-UHFFFAOYSA-N
XLogP-0.17
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 59493796) is 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CN1CCN(c2ncc3c(n2)CNC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is GCOXFRYAAVDBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15-2-4-16(5-3-15)11-13-7-9-6-12-8-10(9)14-11/h7,12H,2-6,8H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 219.29 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 59493796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).