N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C11H16BrN3 — CID 80672902

IUPACN-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCN(CCBr)c1ncnc2c1CCC2
InChIInChI=1S/C11H16BrN3/c1-2-15(7-6-12)11-9-4-3-5-10(9)13-8-14-11/h8H,2-7H2,1H3
InChIKeyYSZBDLZPGVKSPG-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.19
Rot. Bonds4

About N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 80672902) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID80672902
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC NameN-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCN(CCBr)c1ncnc2c1CCC2
InChIInChI=1S/C11H16BrN3/c1-2-15(7-6-12)11-9-4-3-5-10(9)13-8-14-11/h8H,2-7H2,1H3
InChIKeyYSZBDLZPGVKSPG-UHFFFAOYSA-N
XLogP2.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.19
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 N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 80672902) is N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCN(CCBr)c1ncnc2c1CCC2.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is YSZBDLZPGVKSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-2-15(7-6-12)11-9-4-3-5-10(9)13-8-14-11/h8H,2-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 270.17 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 80672902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).