N-butyl-6-chloro-N-methylpyrazin-2-amine

C9H14ClN3 — CID 53410844

IUPACN-butyl-6-chloro-N-methylpyrazin-2-amine
SMILESCCCCN(C)c1cncc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-3-4-5-13(2)9-7-11-6-8(10)12-9/h6-7H,3-5H2,1-2H3
InChIKeySCXGECSOVBOJFB-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.37
Rot. Bonds4

About N-butyl-6-chloro-N-methylpyrazin-2-amine

N-butyl-6-chloro-N-methylpyrazin-2-amine (PubChem CID 53410844) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-butyl-6-chloro-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-N-methylpyrazin-2-amine
PubChem CID53410844
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-butyl-6-chloro-N-methylpyrazin-2-amine
SMILESCCCCN(C)c1cncc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-3-4-5-13(2)9-7-11-6-8(10)12-9/h6-7H,3-5H2,1-2H3
InChIKeySCXGECSOVBOJFB-UHFFFAOYSA-N
XLogP2.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-6-(1-piperazinyl)pyrazine
CID 107992
2-Chloro-6-(pyrrolidin-1-yl)pyrazine
CID 26967054
Pyrazine, 2-dimethylamino-, hydrochloride
CID 199885
6-chloro-N,N-dimethylpyrazin-2-amine
CID 23273443
2-Chloro-3-(pyrrolidin-1-yl)pyrazine
CID 51072290
2-Chloro-6-(4-ethylpiperazin-1-yl)pyrazine
CID 53512534
3-Chloro-N,N-dimethylpyrazin-2-amine
CID 20483427
2-Chloro-6-(4-methylpiperidin-1-yl)pyrazine
CID 25539137
2-Chloro-6-ethylaminopyrazine
CID 26967009
6-chloro-N-methylpyrazin-2-amine
CID 26967011
3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 90674685
6-Chloro-N-cyclopentyl-2-pyrazinamine
CID 10104176

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-methylpyrazin-2-amine?
The IUPAC name of N-butyl-6-chloro-N-methylpyrazin-2-amine (CID 53410844) is N-butyl-6-chloro-N-methylpyrazin-2-amine.
What is the SMILES notation for N-butyl-6-chloro-N-methylpyrazin-2-amine?
The canonical SMILES for N-butyl-6-chloro-N-methylpyrazin-2-amine is CCCCN(C)c1cncc(Cl)n1.
What is the InChIKey of N-butyl-6-chloro-N-methylpyrazin-2-amine?
The InChIKey is SCXGECSOVBOJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-4-5-13(2)9-7-11-6-8(10)12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-6-chloro-N-methylpyrazin-2-amine?
N-butyl-6-chloro-N-methylpyrazin-2-amine has a molecular weight of 199.69 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-methylpyrazin-2-amine is sourced from PubChem (CID 53410844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).