1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one

C11H14N4OS — CID 168684622

IUPAC1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(N)nc(SC)n2)C1
InChIInChI=1S/C11H14N4OS/c1-3-7-4-10(16)15(6-7)9-5-8(12)13-11(14-9)17-2/h3,5,7H,1,4,6H2,2H3,(H2,12,13,14)
InChIKeyPHYSPELZJINEDV-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.32
Rot. Bonds3

About 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one

1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168684622) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168684622
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(N)nc(SC)n2)C1
InChIInChI=1S/C11H14N4OS/c1-3-7-4-10(16)15(6-7)9-5-8(12)13-11(14-9)17-2/h3,5,7H,1,4,6H2,2H3,(H2,12,13,14)
InChIKeyPHYSPELZJINEDV-UHFFFAOYSA-N
XLogP1.32
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507627
1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684957
4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168684859
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686161
1-(5-chloro-4-methyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684694
1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
CID 168685445
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
1-(5-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685937
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one (CID 168684622) is 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(N)nc(SC)n2)C1.
What is the InChIKey of 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is PHYSPELZJINEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-7-4-10(16)15(6-7)9-5-8(12)13-11(14-9)17-2/h3,5,7H,1,4,6H2,2H3,(H2,12,13,14).
What are the key properties of 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one?
1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 250.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).