1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one

C8H10N4OS — CID 168710625

IUPAC1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESNc1ccnc(N2CC(S)CC2=O)n1
InChIInChI=1S/C8H10N4OS/c9-6-1-2-10-8(11-6)12-4-5(14)3-7(12)13/h1-2,5,14H,3-4H2,(H2,9,10,11)
InChIKeyHOIHRQATYPHVHV-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.09
Rot. Bonds1

About 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one

1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168710625) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
PubChem CID168710625
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESNc1ccnc(N2CC(S)CC2=O)n1
InChIInChI=1S/C8H10N4OS/c9-6-1-2-10-8(11-6)12-4-5(14)3-7(12)13/h1-2,5,14H,3-4H2,(H2,9,10,11)
InChIKeyHOIHRQATYPHVHV-UHFFFAOYSA-N
XLogP0.09
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149
1-[4-(3-bromophenyl)pyrimidin-2-yl]-4-sulfanylpyrrolidin-2-one
CID 168710760
1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one
CID 168710740
4-amino-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168710214
1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710708
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
[2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidin-5-yl]boronic acid
CID 168710746
4-sulfanyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 168710403
1-(5-bromoquinoxalin-6-yl)-4-sulfanylpyrrolidin-2-one
CID 168710141
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389
1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708315

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one (CID 168710625) is 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one is Nc1ccnc(N2CC(S)CC2=O)n1.
What is the InChIKey of 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is HOIHRQATYPHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c9-6-1-2-10-8(11-6)12-4-5(14)3-7(12)13/h1-2,5,14H,3-4H2,(H2,9,10,11).
What are the key properties of 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 210.26 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).