2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

C12H20N4OS — CID 106679161

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nccnc1N)C(C)C
InChIInChI=1S/C12H20N4OS/c1-8(2)16(9(3)4)10(17)7-18-12-11(13)14-5-6-15-12/h5-6,8-9H,7H2,1-4H3,(H2,13,14)
InChIKeySQRRKODPCJNPBS-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.80
Rot. Bonds5

About 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 106679161) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID106679161
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nccnc1N)C(C)C
InChIInChI=1S/C12H20N4OS/c1-8(2)16(9(3)4)10(17)7-18-12-11(13)14-5-6-15-12/h5-6,8-9H,7H2,1-4H3,(H2,13,14)
InChIKeySQRRKODPCJNPBS-UHFFFAOYSA-N
XLogP1.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 106678756
2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 106678918
2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 106678468
ethyl 4-amino-2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 861804
2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol
CID 102989025
2-(3-aminopyrazin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 106678701
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 106679046
2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 79147428
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
CID 106679325
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 78850963
2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone
CID 106679402

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (CID 106679161) is 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nccnc1N)C(C)C.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is SQRRKODPCJNPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8(2)16(9(3)4)10(17)7-18-12-11(13)14-5-6-15-12/h5-6,8-9H,7H2,1-4H3,(H2,13,14).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 106679161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).