1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one

C12H17ClN4O — CID 133342299

IUPAC1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(Nc2cncc(Cl)n2)CC1=O
InChIInChI=1S/C12H17ClN4O/c1-12(2,3)17-7-8(4-11(17)18)15-10-6-14-5-9(13)16-10/h5-6,8H,4,7H2,1-3H3,(H,15,16)
InChIKeyKVONYAVLJYUVBB-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.94
Rot. Bonds2

About 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one

1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one (PubChem CID 133342299) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
PubChem CID133342299
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(Nc2cncc(Cl)n2)CC1=O
InChIInChI=1S/C12H17ClN4O/c1-12(2,3)17-7-8(4-11(17)18)15-10-6-14-5-9(13)16-10/h5-6,8H,4,7H2,1-3H3,(H,15,16)
InChIKeyKVONYAVLJYUVBB-UHFFFAOYSA-N
XLogP1.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
CID 122054120
1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133492261
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342318
(3R,4R)-2-tert-butyl-3-[(6-chloropyrazin-2-yl)amino]-4-methylpyrrolidine-1-carboxylic acid
CID 87098827
1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133342190
1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133342356
4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one
CID 133342194
N-(6-chloropyrazin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281563
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 133342273
6-chloro-N-methylpyrazin-2-amine
CID 26967011
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133342294

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one (CID 133342299) is 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one is CC(C)(C)N1CC(Nc2cncc(Cl)n2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is KVONYAVLJYUVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-12(2,3)17-7-8(4-11(17)18)15-10-6-14-5-9(13)16-10/h5-6,8H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one?
1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 268.75 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133342299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).