2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

C19H23FN4O2S — CID 7385520

IUPAC2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCN(C)CCn1c2c(c(SCC(=O)Nc3ccccc3F)nc1=O)CCC2
InChIInChI=1S/C19H23FN4O2S/c1-23(2)10-11-24-16-9-5-6-13(16)18(22-19(24)26)27-12-17(25)21-15-8-4-3-7-14(15)20/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,21,25)
InChIKeyBPDJISVBEQXVNJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.16
Rot. Bonds7

About 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 7385520) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID7385520
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCN(C)CCn1c2c(c(SCC(=O)Nc3ccccc3F)nc1=O)CCC2
InChIInChI=1S/C19H23FN4O2S/c1-23(2)10-11-24-16-9-5-6-13(16)18(22-19(24)26)27-12-17(25)21-15-8-4-3-7-14(15)20/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,21,25)
InChIKeyBPDJISVBEQXVNJ-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 7385520) is 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is CN(C)CCn1c2c(c(SCC(=O)Nc3ccccc3F)nc1=O)CCC2.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is BPDJISVBEQXVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-23(2)10-11-24-16-9-5-6-13(16)18(22-19(24)26)27-12-17(25)21-15-8-4-3-7-14(15)20/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 390.48 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 7385520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).