4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one

C10H12N6O — CID 168661465

IUPAC4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C10H12N6O/c11-2-6-1-7(17)16(3-6)10-8-9(13-4-12-8)14-5-15-10/h4-6H,1-3,11H2,(H,12,13,14,15)
InChIKeyKAVUBRFEOUGNDP-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.34
Rot. Bonds2

About 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one (PubChem CID 168661465) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
PubChem CID168661465
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C10H12N6O/c11-2-6-1-7(17)16(3-6)10-8-9(13-4-12-8)14-5-15-10/h4-6H,1-3,11H2,(H,12,13,14,15)
InChIKeyKAVUBRFEOUGNDP-UHFFFAOYSA-N
XLogP-0.34
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385
5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
CID 168692424
4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one
CID 168661466
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
CID 168661037
methyl 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylate
CID 168695495
1-(2-amino-7H-purin-6-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509263
1-(2-amino-7H-purin-6-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505942
[6-methyl-1-(7H-purin-6-yl)piperidin-3-yl]methanamine
CID 55090865
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
1-(2-chloro-7H-purin-6-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671942
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one (CID 168661465) is 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one?
The InChIKey is KAVUBRFEOUGNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c11-2-6-1-7(17)16(3-6)10-8-9(13-4-12-8)14-5-15-10/h4-6H,1-3,11H2,(H,12,13,14,15).
What are the key properties of 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one has a molecular weight of 232.25 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 168661465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).