6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine

C10H14ClN3S — CID 80527821

IUPAC6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
SMILESCC1(CNc2cncc(Cl)n2)CCCS1
InChIInChI=1S/C10H14ClN3S/c1-10(3-2-4-15-10)7-13-9-6-12-5-8(11)14-9/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyFBQGSBBVQJHTPU-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.83
Rot. Bonds3

About 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine

6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine (PubChem CID 80527821) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
PubChem CID80527821
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
SMILESCC1(CNc2cncc(Cl)n2)CCCS1
InChIInChI=1S/C10H14ClN3S/c1-10(3-2-4-15-10)7-13-9-6-12-5-8(11)14-9/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyFBQGSBBVQJHTPU-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-pentylpyrazin-2-amine
CID 22249172
6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine
CID 47370360
3-(((6-Chloropyrazin-2-yl)amino)methyl)tetrahydrothiophene 1,1-dioxide
CID 47370492
6-chloro-N-(cyclopentylmethyl)pyrazin-2-amine
CID 47370503
6-chloro-N-(4-methylpentyl)pyrazin-2-amine
CID 61362978
6-chloro-N-methyl-N-(thiolan-3-yl)pyrazin-2-amine
CID 61699098
6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazin-2-amine
CID 61853541
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazin-2-amine
CID 61853542
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyrazin-2-amine
CID 62131119
3-chloro-N-(4-methylpentyl)pyrazin-2-amine
CID 63003254
6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine
CID 63959265
3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine
CID 63959486

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine (CID 80527821) is 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine is CC1(CNc2cncc(Cl)n2)CCCS1.
What is the InChIKey of 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The InChIKey is FBQGSBBVQJHTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-10(3-2-4-15-10)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-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine has a molecular weight of 243.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 80527821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).