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

C10H12N6O2 — CID 168663911

IUPAC1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1nc(N2CC(CO)CC2=O)nc2nc[nH]c12
InChIInChI=1S/C10H12N6O2/c11-8-7-9(13-4-12-7)15-10(14-8)16-2-5(3-17)1-6(16)18/h4-5,17H,1-3H2,(H3,11,12,13,14,15)
InChIKeyVSKZRXORRIFYSK-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.72
Rot. Bonds2

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

1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663911) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663911
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1nc(N2CC(CO)CC2=O)nc2nc[nH]c12
InChIInChI=1S/C10H12N6O2/c11-8-7-9(13-4-12-7)15-10(14-8)16-2-5(3-17)1-6(16)18/h4-5,17H,1-3H2,(H3,11,12,13,14,15)
InChIKeyVSKZRXORRIFYSK-UHFFFAOYSA-N
XLogP-0.72
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663822
S-[1-(6-amino-7H-purin-2-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707019
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
1-(2-chloro-7H-purin-6-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671942
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484
1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671952
1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(chloromethyl)pyrrolidin-2-one
CID 168509271
1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one
CID 168661062
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963
4-amino-5-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168671926

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663911) is 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is Nc1nc(N2CC(CO)CC2=O)nc2nc[nH]c12.
What is the InChIKey of 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is VSKZRXORRIFYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-8-7-9(13-4-12-7)15-10(14-8)16-2-5(3-17)1-6(16)18/h4-5,17H,1-3H2,(H3,11,12,13,14,15).
What are the key properties of 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 248.25 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).