5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine

C11H14BrN3 — CID 103844172

IUPAC5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
SMILESBrc1cnc(NCCC2=CCCC2)nc1
InChIInChI=1S/C11H14BrN3/c12-10-7-14-11(15-8-10)13-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,13,14,15)
InChIKeyHLRJDNVLRPGTCF-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.15
Rot. Bonds4

About 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine (PubChem CID 103844172) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
PubChem CID103844172
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
SMILESBrc1cnc(NCCC2=CCCC2)nc1
InChIInChI=1S/C11H14BrN3/c12-10-7-14-11(15-8-10)13-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,13,14,15)
InChIKeyHLRJDNVLRPGTCF-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine
CID 106197318
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
CID 106173773
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
2-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247660
3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106174357
5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
CID 102536285
[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109251157
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
N-[2-(cyclopenten-1-yl)ethyl]-1,3-thiazol-2-amine
CID 106177509
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine (CID 103844172) is 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine is Brc1cnc(NCCC2=CCCC2)nc1.
What is the InChIKey of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine?
The InChIKey is HLRJDNVLRPGTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c12-10-7-14-11(15-8-10)13-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,13,14,15).
What are the key properties of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine?
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine has a molecular weight of 268.16 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103844172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).