4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one

C10H13N3O2S — CID 135592259

IUPAC4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCN2CCCC2=O)n1
InChIInChI=1S/C10H13N3O2S/c1-7-5-8(14)12-10(11-7)16-6-13-4-2-3-9(13)15/h5H,2-4,6H2,1H3,(H,11,12,14)
InChIKeyGHUNQSZRLDMPAS-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.75
Rot. Bonds3

About 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135592259) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135592259
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCN2CCCC2=O)n1
InChIInChI=1S/C10H13N3O2S/c1-7-5-8(14)12-10(11-7)16-6-13-4-2-3-9(13)15/h5H,2-4,6H2,1H3,(H,11,12,14)
InChIKeyGHUNQSZRLDMPAS-UHFFFAOYSA-N
XLogP0.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 135592259) is 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCN2CCCC2=O)n1.
What is the InChIKey of 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is GHUNQSZRLDMPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-5-8(14)12-10(11-7)16-6-13-4-2-3-9(13)15/h5H,2-4,6H2,1H3,(H,11,12,14).
What are the key properties of 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 239.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-oxopyrrolidin-1-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135592259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).