6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine

C12H18ClN3 — CID 107400699

IUPAC6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine
SMILESCCN(CC1CCC1)c1cncc(CCl)n1
InChIInChI=1S/C12H18ClN3/c1-2-16(9-10-4-3-5-10)12-8-14-7-11(6-13)15-12/h7-8,10H,2-6,9H2,1H3
InChIKeyWULTUOCIXMRIKX-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.84
Rot. Bonds5

About 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine

6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine (PubChem CID 107400699) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine
PubChem CID107400699
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine
SMILESCCN(CC1CCC1)c1cncc(CCl)n1
InChIInChI=1S/C12H18ClN3/c1-2-16(9-10-4-3-5-10)12-8-14-7-11(6-13)15-12/h7-8,10H,2-6,9H2,1H3
InChIKeyWULTUOCIXMRIKX-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.84
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

[6-[cyclopropylmethyl(ethyl)amino]pyrazin-2-yl]methanol
CID 66466162
6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
CID 66467557
6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 66465515
N,N-bis(cyclopropylmethyl)-6-(propylaminomethyl)pyrazin-2-amine
CID 66451704
5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 107373461
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995
[6-[cyclobutylmethyl(ethyl)amino]-2-pyridinyl]methanol
CID 107400665
3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
CID 107400692
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine
CID 107400684
6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 66457459
6-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 66450490
4-chloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 107399733

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine (CID 107400699) is 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine is CCN(CC1CCC1)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine?
The InChIKey is WULTUOCIXMRIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-16(9-10-4-3-5-10)12-8-14-7-11(6-13)15-12/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine?
6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 107400699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).