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

C14H20BrN3 — CID 80668669

IUPACN-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESBrCCN(c1ncnc2c1CCC2)C1CCCC1
InChIInChI=1S/C14H20BrN3/c15-8-9-18(11-4-1-2-5-11)14-12-6-3-7-13(12)16-10-17-14/h10-11H,1-9H2
InChIKeyDMZLFKHIYQUKMW-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.11
Rot. Bonds4

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

N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 80668669) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID80668669
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESBrCCN(c1ncnc2c1CCC2)C1CCCC1
InChIInChI=1S/C14H20BrN3/c15-8-9-18(11-4-1-2-5-11)14-12-6-3-7-13(12)16-10-17-14/h10-11H,1-9H2
InChIKeyDMZLFKHIYQUKMW-UHFFFAOYSA-N
XLogP3.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.11
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-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 80668669) is N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is BrCCN(c1ncnc2c1CCC2)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is DMZLFKHIYQUKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c15-8-9-18(11-4-1-2-5-11)14-12-6-3-7-13(12)16-10-17-14/h10-11H,1-9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 310.24 g/mol, XLogP of 3.11, 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-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 80668669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).