2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone

C17H24N4O2S2 — CID 4120703

IUPAC2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCc1cc(SCC(=O)N2CCCC2)nc(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C17H24N4O2S2/c1-13-10-14(24-11-15(22)20-6-2-3-7-20)19-17(18-13)25-12-16(23)21-8-4-5-9-21/h10H,2-9,11-12H2,1H3
InChIKeyKOKOGJSDRHTQRY-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.21
Rot. Bonds6

About 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone

2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 4120703) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID4120703
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCc1cc(SCC(=O)N2CCCC2)nc(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C17H24N4O2S2/c1-13-10-14(24-11-15(22)20-6-2-3-7-20)19-17(18-13)25-12-16(23)21-8-4-5-9-21/h10H,2-9,11-12H2,1H3
InChIKeyKOKOGJSDRHTQRY-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone (CID 4120703) is 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone is Cc1cc(SCC(=O)N2CCCC2)nc(SCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is KOKOGJSDRHTQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-13-10-14(24-11-15(22)20-6-2-3-7-20)19-17(18-13)25-12-16(23)21-8-4-5-9-21/h10H,2-9,11-12H2,1H3.
What are the key properties of 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 380.54 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 4120703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).