2-chloro-6-(2-methylpiperazin-1-yl)pyrazine

C9H13ClN4 — CID 18186773

IUPAC2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
SMILESCC1CNCCN1c1cncc(Cl)n1
InChIInChI=1S/C9H13ClN4/c1-7-4-11-2-3-14(7)9-6-12-5-8(10)13-9/h5-7,11H,2-4H2,1H3
InChIKeyLMVCGOMXWHZJLN-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.93
Rot. Bonds1

About 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine

2-chloro-6-(2-methylpiperazin-1-yl)pyrazine (PubChem CID 18186773) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
PubChem CID18186773
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
SMILESCC1CNCCN1c1cncc(Cl)n1
InChIInChI=1S/C9H13ClN4/c1-7-4-11-2-3-14(7)9-6-12-5-8(10)13-9/h5-7,11H,2-4H2,1H3
InChIKeyLMVCGOMXWHZJLN-UHFFFAOYSA-N
XLogP0.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate
CID 116650861
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
CID 62673005
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine
CID 97163339
4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 86329330
4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261
2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine
CID 116650875
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine (CID 18186773) is 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine is CC1CNCCN1c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine?
The InChIKey is LMVCGOMXWHZJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-7-4-11-2-3-14(7)9-6-12-5-8(10)13-9/h5-7,11H,2-4H2,1H3.
What are the key properties of 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine?
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine has a molecular weight of 212.68 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 18186773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).