2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine

C11H18N4 — CID 94450675

IUPAC2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN[C@@H](C)C2)n1
InChIInChI=1S/C11H18N4/c1-8-6-13-10(3)11(14-8)15-5-4-12-9(2)7-15/h6,9,12H,4-5,7H2,1-3H3/t9-/m0/s1
InChIKeyWTPBDWZDMJMYCC-VIFPVBQESA-N
MW206.29 g/mol
LogP0.89
Rot. Bonds1

About 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine

2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine (PubChem CID 94450675) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
PubChem CID94450675
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN[C@@H](C)C2)n1
InChIInChI=1S/C11H18N4/c1-8-6-13-10(3)11(14-8)15-5-4-12-9(2)7-15/h6,9,12H,4-5,7H2,1-3H3/t9-/m0/s1
InChIKeyWTPBDWZDMJMYCC-VIFPVBQESA-N
XLogP0.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]pyrazine
CID 94450674
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-2-yl]phenol
CID 167850743
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228
1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol
CID 65419073
5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210482
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 122620941
3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
CID 80680091
(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944496
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
CID 71639412

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine (CID 94450675) is 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN[C@@H](C)C2)n1.
What is the InChIKey of 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine?
The InChIKey is WTPBDWZDMJMYCC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4/c1-8-6-13-10(3)11(14-8)15-5-4-12-9(2)7-15/h6,9,12H,4-5,7H2,1-3H3/t9-/m0/s1.
What are the key properties of 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine?
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine has a molecular weight of 206.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine is sourced from PubChem (CID 94450675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).