4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

C10H14N4O2S — CID 135447069

IUPAC4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C10H14N4O2S/c11-7-5-8(15)13-10(12-7)17-6-9(16)14-3-1-2-4-14/h5H,1-4,6H2,(H3,11,12,13,15)
InChIKeyLDMNOPGQZGPRMA-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.07
Rot. Bonds3

About 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135447069) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135447069
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C10H14N4O2S/c11-7-5-8(15)13-10(12-7)17-6-9(16)14-3-1-2-4-14/h5H,1-4,6H2,(H3,11,12,13,15)
InChIKeyLDMNOPGQZGPRMA-UHFFFAOYSA-N
XLogP0.07
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 135447069) is 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCC(=O)N2CCCC2)n1.
What is the InChIKey of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is LDMNOPGQZGPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c11-7-5-8(15)13-10(12-7)17-6-9(16)14-3-1-2-4-14/h5H,1-4,6H2,(H3,11,12,13,15).
What are the key properties of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 254.31 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135447069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).