N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine

C12H18ClN3 — CID 106365406

IUPACN-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NC2CCCC2CCl)nc1C
InChIInChI=1S/C12H18ClN3/c1-8-9(2)15-12(7-14-8)16-11-5-3-4-10(11)6-13/h7,10-11H,3-6H2,1-2H3,(H,15,16)
InChIKeyRSSMAXWQEDKRFM-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.91
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine

N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 106365406) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine
PubChem CID106365406
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NC2CCCC2CCl)nc1C
InChIInChI=1S/C12H18ClN3/c1-8-9(2)15-12(7-14-8)16-11-5-3-4-10(11)6-13/h7,10-11H,3-6H2,1-2H3,(H,15,16)
InChIKeyRSSMAXWQEDKRFM-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
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-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine (CID 106365406) is N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine is Cc1ncc(NC2CCCC2CCl)nc1C.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is RSSMAXWQEDKRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-9(2)15-12(7-14-8)16-11-5-3-4-10(11)6-13/h7,10-11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine?
N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 106365406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).