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

C10H10ClN5O2 — CID 168663822

IUPAC1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C10H10ClN5O2/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,(H,12,13,14,15)
InChIKeyUNCKJKRPMKFGCZ-UHFFFAOYSA-N
MW267.68 g/mol
LogP0.35
Rot. Bonds2

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

1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663822) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663822
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C10H10ClN5O2/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,(H,12,13,14,15)
InChIKeyUNCKJKRPMKFGCZ-UHFFFAOYSA-N
XLogP0.35
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663911
1-(2-chloro-7H-purin-6-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671942
1-(2-amino-7H-purin-6-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509263
S-[1-(6-amino-7H-purin-2-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707019
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484
1-(2-amino-7H-purin-6-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505942
1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663479
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
1-(2-chloro-7H-purin-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692060
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663357
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671847

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663822) is 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is UNCKJKRPMKFGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/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,(H,12,13,14,15).
What are the key properties of 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 267.68 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).