(4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one

C11H17N5O — CID 164631980

IUPAC(4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](Nc2nccnc2N(C)C)CC1=O
InChIInChI=1S/C11H17N5O/c1-15(2)11-10(12-4-5-13-11)14-8-6-9(17)16(3)7-8/h4-5,8H,6-7H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyBIJIJMAQQSXKIJ-QMMMGPOBSA-N
MW235.29 g/mol
LogP0.19
Rot. Bonds3

About (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one

(4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 164631980) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID164631980
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](Nc2nccnc2N(C)C)CC1=O
InChIInChI=1S/C11H17N5O/c1-15(2)11-10(12-4-5-13-11)14-8-6-9(17)16(3)7-8/h4-5,8H,6-7H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyBIJIJMAQQSXKIJ-QMMMGPOBSA-N
XLogP0.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222601
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 47253569
N-[2-(pyrazin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502105
4-acetyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,4-diazepane-1-carboxamide
CID 53504842
N-[2-(pyrazin-2-ylamino)ethyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53522071
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide
CID 56778639
N-(3-imidazol-1-ylpropyl)-2,4-dimethylpiperazine-1-carboxamide
CID 71877025
N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 71892869
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 71893158
(3S4S)-N-(Cyclopropylmethyl)-4-(methoxymethyl)-1-(pyrazin-2-YL)pyrrolidine-3-carboxamide
CID 124052008

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one (CID 164631980) is (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one is CN1C[C@@H](Nc2nccnc2N(C)C)CC1=O.
What is the InChIKey of (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is BIJIJMAQQSXKIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O/c1-15(2)11-10(12-4-5-13-11)14-8-6-9(17)16(3)7-8/h4-5,8H,6-7H2,1-3H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one?
(4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 164631980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).