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

C11H15ClN4 — CID 115042933

IUPAC4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCN1CCC(c2nc(Cl)c3c(n2)CNC3)C1
InChIInChI=1S/C11H15ClN4/c1-16-3-2-7(6-16)11-14-9-5-13-4-8(9)10(12)15-11/h7,13H,2-6H2,1H3
InChIKeyBZPBAMRNBZVWMC-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.15
Rot. Bonds1

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

4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 115042933) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID115042933
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCN1CCC(c2nc(Cl)c3c(n2)CNC3)C1
InChIInChI=1S/C11H15ClN4/c1-16-3-2-7(6-16)11-14-9-5-13-4-8(9)10(12)15-11/h7,13H,2-6H2,1H3
InChIKeyBZPBAMRNBZVWMC-UHFFFAOYSA-N
XLogP1.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 115042933) is 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CN1CCC(c2nc(Cl)c3c(n2)CNC3)C1.
What is the InChIKey of 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is BZPBAMRNBZVWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-16-3-2-7(6-16)11-14-9-5-13-4-8(9)10(12)15-11/h7,13H,2-6H2,1H3.
What are the key properties of 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 238.72 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 115042933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).