1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C13H21ClN4 — CID 103054422

IUPAC1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1cnc(Cl)cn1)CC1(N(C)C)CCC1
InChIInChI=1S/C13H21ClN4/c1-17(2)13(5-4-6-13)10-18(3)9-11-7-16-12(14)8-15-11/h7-8H,4-6,9-10H2,1-3H3
InChIKeyOJJHJWCRLUZHTC-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.05
Rot. Bonds5

About 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 103054422) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID103054422
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1cnc(Cl)cn1)CC1(N(C)C)CCC1
InChIInChI=1S/C13H21ClN4/c1-17(2)13(5-4-6-13)10-18(3)9-11-7-16-12(14)8-15-11/h7-8H,4-6,9-10H2,1-3H3
InChIKeyOJJHJWCRLUZHTC-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloropyrazin-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 103054102
2-Chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine
CID 118279233
2-Chloro-5-[(3-fluoroazetidin-1-yl)methyl]pyrazine
CID 118279395
2-Chloro-5-[(4-fluoropiperidin-1-yl)methyl]pyrazine
CID 172264734
N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 103054211
N-[(5-chloropyrazin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103054215
N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 103054321
N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 103054399
1-(6-chloro-2-pyrazinyl)-N,N-dimethylmethanamine
CID 28064636
N-[(5-chloropyrazin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 89148922
2-Chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine
CID 103053995
2-Chloro-5-(pyrrolidin-1-ylmethyl)pyrazine
CID 103053997

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 103054422) is 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(Cc1cnc(Cl)cn1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is OJJHJWCRLUZHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-17(2)13(5-4-6-13)10-18(3)9-11-7-16-12(14)8-15-11/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103054422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).