4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C11H14BrN3 — CID 80669009

IUPAC4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESBrC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C11H14BrN3/c12-8-4-5-15(6-8)11-9-2-1-3-10(9)13-7-14-11/h7-8H,1-6H2
InChIKeyUJKRWSSDWIJBKS-UHFFFAOYSA-N
MW268.16 g/mol
LogP1.94
Rot. Bonds1

About 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 80669009) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID80669009
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESBrC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C11H14BrN3/c12-8-4-5-15(6-8)11-9-2-1-3-10(9)13-7-14-11/h7-8H,1-6H2
InChIKeyUJKRWSSDWIJBKS-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 80669009) is 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is BrC1CCN(c2ncnc3c2CCC3)C1.
What is the InChIKey of 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is UJKRWSSDWIJBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c12-8-4-5-15(6-8)11-9-2-1-3-10(9)13-7-14-11/h7-8H,1-6H2.
What are the key properties of 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 268.16 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 80669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).