2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine

C12H18Cl2N2 — CID 134965891

IUPAC2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine
SMILESCC[C@H](C)c1nc(Cl)c([C@@H](C)CC)nc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-5-7(3)9-11(13)16-10(8(4)6-2)12(14)15-9/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyAEOUMSXCGUVSJD-YUMQZZPRSA-N
MW261.20 g/mol
LogP4.81
Rot. Bonds4

About 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine

2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine (PubChem CID 134965891) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine.

Molecular Properties

Compound Name2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine
PubChem CID134965891
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine
SMILESCC[C@H](C)c1nc(Cl)c([C@@H](C)CC)nc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-5-7(3)9-11(13)16-10(8(4)6-2)12(14)15-9/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyAEOUMSXCGUVSJD-YUMQZZPRSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dichloro-3,6-di(propan-2-yl)pyrazine
CID 12429637
2,5-Dichloro-3,6-bis(2-methylpropyl)pyrazine
CID 12429638
2,5-Dichloro-3,6-dipropylpyrazine
CID 12429636
2,5-Dichloro-1-oxido-3,6-dipropylpyrazin-1-ium
CID 12730789
2,5-Di(butan-2-yl)-3,6-dichloropyrazine
CID 13554885
2,5-Dichloro-3,6-diethylpyrazine
CID 12548145
2,3-Dicyano-5-chloro-6-isobutylpyrazine
CID 12907203
2,5-bis[(2S)-butan-2-yl]-3,6-dichloro-1-oxidopyrazin-1-ium
CID 71698197
2-Tert-butyl-3,6-dichloro-5-methylpyrazine
CID 169256983
2-Chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine
CID 10703786
2,5-Dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine
CID 12722501
2,5-Dichloro-3,6-bis(2-methylpropyl)-1-oxidopyrazin-1-ium
CID 12722509

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine?
The IUPAC name of 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine (CID 134965891) is 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine.
What is the SMILES notation for 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine?
The canonical SMILES for 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine is CC[C@H](C)c1nc(Cl)c([C@@H](C)CC)nc1Cl.
What is the InChIKey of 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine?
The InChIKey is AEOUMSXCGUVSJD-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-5-7(3)9-11(13)16-10(8(4)6-2)12(14)15-9/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine?
2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine has a molecular weight of 261.20 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine is sourced from PubChem (CID 134965891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).