4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one

C12H16N6O2 — CID 168661063

IUPAC4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc3c2ncn3CCO)C1
InChIInChI=1S/C12H16N6O2/c13-4-8-3-9(20)18(5-8)12-10-11(14-6-15-12)17(1-2-19)7-16-10/h6-8,19H,1-5,13H2
InChIKeyHABAKTKIEFLPFL-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.87
Rot. Bonds4

About 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one

4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one (PubChem CID 168661063) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one
PubChem CID168661063
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc3c2ncn3CCO)C1
InChIInChI=1S/C12H16N6O2/c13-4-8-3-9(20)18(5-8)12-10-11(14-6-15-12)17(1-2-19)7-16-10/h6-8,19H,1-5,13H2
InChIKeyHABAKTKIEFLPFL-UHFFFAOYSA-N
XLogP-0.87
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one
CID 168661466
4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
CID 168661037
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde
CID 168661017
4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one
CID 168661317
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123
4-(bromomethyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-one
CID 168504806
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168661090
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998
4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
CID 66424528

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one (CID 168661063) is 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one is NCC1CC(=O)N(c2ncnc3c2ncn3CCO)C1.
What is the InChIKey of 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one?
The InChIKey is HABAKTKIEFLPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c13-4-8-3-9(20)18(5-8)12-10-11(14-6-15-12)17(1-2-19)7-16-10/h6-8,19H,1-5,13H2.
What are the key properties of 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one?
4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one has a molecular weight of 276.30 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 168661063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).