5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine

C11H13BrClN3 — CID 106197318

IUPAC5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine
SMILESClc1ncc(Br)c(NCCC2=CCCC2)n1
InChIInChI=1S/C11H13BrClN3/c12-9-7-15-11(13)16-10(9)14-6-5-8-3-1-2-4-8/h3,7H,1-2,4-6H2,(H,14,15,16)
InChIKeyMQALHDRKLKSCRE-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.80
Rot. Bonds4

About 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine

5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 106197318) has the molecular formula C11H13BrClN3 and a molecular weight of 302.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine
PubChem CID106197318
Molecular FormulaC11H13BrClN3
Molecular Weight302.60 g/mol
Exact Mass301.00
IUPAC Name5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine
SMILESClc1ncc(Br)c(NCCC2=CCCC2)n1
InChIInChI=1S/C11H13BrClN3/c12-9-7-15-11(13)16-10(9)14-6-5-8-3-1-2-4-8/h3,7H,1-2,4-6H2,(H,14,15,16)
InChIKeyMQALHDRKLKSCRE-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.80
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

3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
CID 103844172
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
CID 106173773
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
5-bromo-2-chloro-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 106431867
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 93214217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine (CID 106197318) is 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine is Clc1ncc(Br)c(NCCC2=CCCC2)n1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MQALHDRKLKSCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3/c12-9-7-15-11(13)16-10(9)14-6-5-8-3-1-2-4-8/h3,7H,1-2,4-6H2,(H,14,15,16).
What are the key properties of 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 302.60 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106197318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).