(2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride

C16H29Cl2N5OS — CID 163338152

IUPAC(2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride
SMILESCSC(C)(C)[C@H](N)C(=O)N1CCN(c2nc(C)cnc2C)CC1.Cl.Cl
InChIInChI=1S/C16H27N5OS.2ClH/c1-11-10-18-12(2)14(19-11)20-6-8-21(9-7-20)15(22)13(17)16(3,4)23-5;;/h10,13H,6-9,17H2,1-5H3;2*1H/t13-;;/m1../s1
InChIKeyNOJOPOMBRSRHKE-FFXKMJQXSA-N
MW410.42 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride

(2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride (PubChem CID 163338152) has the molecular formula C16H29Cl2N5OS and a molecular weight of 410.42 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride
PubChem CID163338152
Molecular FormulaC16H29Cl2N5OS
Molecular Weight410.42 g/mol
Exact Mass409.15
IUPAC Name(2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride
SMILESCSC(C)(C)[C@H](N)C(=O)N1CCN(c2nc(C)cnc2C)CC1.Cl.Cl
InChIInChI=1S/C16H27N5OS.2ClH/c1-11-10-18-12(2)14(19-11)20-6-8-21(9-7-20)15(22)13(17)16(3,4)23-5;;/h10,13H,6-9,17H2,1-5H3;2*1H/t13-;;/m1../s1
InChIKeyNOJOPOMBRSRHKE-FFXKMJQXSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 155941155
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine
CID 59776855
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048
(2S)-2-amino-3,3-dimethyl-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119851692
(2S)-2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119844383
(2S)-2-amino-3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 61148077
(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 99855050
[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 90647890
5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 156585711
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
CID 77082199

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride (CID 163338152) is (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride is CSC(C)(C)[C@H](N)C(=O)N1CCN(c2nc(C)cnc2C)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride?
The InChIKey is NOJOPOMBRSRHKE-FFXKMJQXSA-N. The full InChI is InChI=1S/C16H27N5OS.2ClH/c1-11-10-18-12(2)14(19-11)20-6-8-21(9-7-20)15(22)13(17)16(3,4)23-5;;/h10,13H,6-9,17H2,1-5H3;2*1H/t13-;;/m1../s1.
What are the key properties of (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride?
(2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride has a molecular weight of 410.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride is sourced from PubChem (CID 163338152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).