1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one

C12H19N5O2 — CID 50966800

IUPAC1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one
SMILESCNc1ccnc(NC2CC(=O)N(CCOC)C2)n1
InChIInChI=1S/C12H19N5O2/c1-13-10-3-4-14-12(16-10)15-9-7-11(18)17(8-9)5-6-19-2/h3-4,9H,5-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyGZVYEKHXPCKPDE-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.18
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one

1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one (PubChem CID 50966800) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one
PubChem CID50966800
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one
SMILESCNc1ccnc(NC2CC(=O)N(CCOC)C2)n1
InChIInChI=1S/C12H19N5O2/c1-13-10-3-4-14-12(16-10)15-9-7-11(18)17(8-9)5-6-19-2/h3-4,9H,5-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyGZVYEKHXPCKPDE-UHFFFAOYSA-N
XLogP0.18
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 131917049
4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 56891350
(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 97444975
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95880704
2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 91761715
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95721387
1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
CID 80856368
(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 95563902
N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide
CID 125448469

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one (CID 50966800) is 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one is CNc1ccnc(NC2CC(=O)N(CCOC)C2)n1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one?
The InChIKey is GZVYEKHXPCKPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-10-3-4-14-12(16-10)15-9-7-11(18)17(8-9)5-6-19-2/h3-4,9H,5-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one?
1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one has a molecular weight of 265.32 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 50966800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).