5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine

C11H16ClN3 — CID 107373461

IUPAC5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
SMILESCN(CC1CCC1)c1cnc(CCl)cn1
InChIInChI=1S/C11H16ClN3/c1-15(8-9-3-2-4-9)11-7-13-10(5-12)6-14-11/h6-7,9H,2-5,8H2,1H3
InChIKeyLNWRSICMFIEWMO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.45
Rot. Bonds4

About 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine

5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine (PubChem CID 107373461) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
PubChem CID107373461
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
SMILESCN(CC1CCC1)c1cnc(CCl)cn1
InChIInChI=1S/C11H16ClN3/c1-15(8-9-3-2-4-9)11-7-13-10(5-12)6-14-11/h6-7,9H,2-5,8H2,1H3
InChIKeyLNWRSICMFIEWMO-UHFFFAOYSA-N
XLogP2.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.45
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

5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 107373395
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379872
[6-[cyclobutylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 62861713
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine
CID 130652422
6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine
CID 107400699
6-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 66450490
5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 107380315
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546756
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80951273
6-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 63587269
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine (CID 107373461) is 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine is CN(CC1CCC1)c1cnc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine?
The InChIKey is LNWRSICMFIEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15(8-9-3-2-4-9)11-7-13-10(5-12)6-14-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine?
5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 107373461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).