1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one

C9H12N4OS — CID 168709149

IUPAC1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESCc1cc(N)nc(N2CC(S)CC2=O)n1
InChIInChI=1S/C9H12N4OS/c1-5-2-7(10)12-9(11-5)13-4-6(15)3-8(13)14/h2,6,15H,3-4H2,1H3,(H2,10,11,12)
InChIKeyZXCIBZVANRNPMS-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.40
Rot. Bonds1

About 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one

1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168709149) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
PubChem CID168709149
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESCc1cc(N)nc(N2CC(S)CC2=O)n1
InChIInChI=1S/C9H12N4OS/c1-5-2-7(10)12-9(11-5)13-4-6(15)3-8(13)14/h2,6,15H,3-4H2,1H3,(H2,10,11,12)
InChIKeyZXCIBZVANRNPMS-UHFFFAOYSA-N
XLogP0.40
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.40
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)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714658
1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710708
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710625
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168709050
1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709125
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389
1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670618
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951
1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708954

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one (CID 168709149) is 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one is Cc1cc(N)nc(N2CC(S)CC2=O)n1.
What is the InChIKey of 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is ZXCIBZVANRNPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-5-2-7(10)12-9(11-5)13-4-6(15)3-8(13)14/h2,6,15H,3-4H2,1H3,(H2,10,11,12).
What are the key properties of 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 224.29 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).