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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Related Compounds

N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80673331
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63766436
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107489637
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol
CID 62832633
N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80668669
N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80667019
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62832825
N-(piperidin-4-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79719326
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile
CID 63286504
methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957317
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]ethanol
CID 115672547
N-[2-(2-bromoethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114242666

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).