3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine

C11H14ClN5 — CID 106196800

IUPAC3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(Cl)c(NCCc2ncc[nH]2)nc1C
InChIInChI=1S/C11H14ClN5/c1-7-8(2)17-11(10(12)16-7)15-4-3-9-13-5-6-14-9/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyLYQMDVYALVYLCW-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.12
Rot. Bonds4

About 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine

3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 106196800) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine
PubChem CID106196800
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(Cl)c(NCCc2ncc[nH]2)nc1C
InChIInChI=1S/C11H14ClN5/c1-7-8(2)17-11(10(12)16-7)15-4-3-9-13-5-6-14-9/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyLYQMDVYALVYLCW-UHFFFAOYSA-N
XLogP2.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[2-(1H-imidazol-2-yl)ethylamino]-2-methylpyrimidine-5-carbaldehyde
CID 106196793
N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 50971632
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826
4-chloro-6-[3-(1H-imidazol-2-yl)propylamino]-2-methylpyrimidine-5-carbaldehyde
CID 114156824
2-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114156888
6-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106196856
3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102987384
2-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196384
3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 106106127
2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016687
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylfuran-3-sulfonamide
CID 106085167
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine (CID 106196800) is 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine is Cc1nc(Cl)c(NCCc2ncc[nH]2)nc1C.
What is the InChIKey of 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is LYQMDVYALVYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7-8(2)17-11(10(12)16-7)15-4-3-9-13-5-6-14-9/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine?
3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 106196800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).