6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine

C10H14ClN3S — CID 107268817

IUPAC6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
SMILESCSC1(CNc2cncc(Cl)n2)CCC1
InChIInChI=1S/C10H14ClN3S/c1-15-10(3-2-4-10)7-13-9-6-12-5-8(11)14-9/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyFIIIRVKLDNMOEF-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.83
Rot. Bonds4

About 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine

6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine (PubChem CID 107268817) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
PubChem CID107268817
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
SMILESCSC1(CNc2cncc(Cl)n2)CCC1
InChIInChI=1S/C10H14ClN3S/c1-15-10(3-2-4-10)7-13-9-6-12-5-8(11)14-9/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyFIIIRVKLDNMOEF-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(1-fluorocyclobutyl)methyl]pyrazin-2-amine
CID 130695773
6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
CID 130748057
6-chloro-N-(2-methylpropyl)pyrazin-2-amine
CID 10442420
6-Chloro-N-pentylpyrazin-2-amine
CID 22249172
N-butyl-6-chloropyrazin-2-amine
CID 26370017
(S)-6-chloro-N-(1-cyclopropylethyl)pyrazin-2-amine
CID 59635597
6-chloro-N-(3-methylbutyl)pyrazin-2-amine
CID 60726783
6-chloro-N-(cyclobutylmethyl)pyrazin-2-amine
CID 61361387
6-chloro-N-(2,2-dimethylpropyl)pyrazin-2-amine
CID 61397748
6-chloro-N-(1-cyclopropylethyl)pyrazin-2-amine
CID 61699613
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
6-chloro-N-(2-cyclopropylethyl)pyrazin-2-amine
CID 65554467

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine (CID 107268817) is 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine is CSC1(CNc2cncc(Cl)n2)CCC1.
What is the InChIKey of 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine?
The InChIKey is FIIIRVKLDNMOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-15-10(3-2-4-10)7-13-9-6-12-5-8(11)14-9/h5-6H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine?
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine has a molecular weight of 243.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 107268817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).