2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide

C20H25FN4O2S — CID 7385648

IUPAC2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCN(C)CCCn1c2c(c(SCC(=O)Nc3cccc(F)c3)nc1=O)CCC2
InChIInChI=1S/C20H25FN4O2S/c1-24(2)10-5-11-25-17-9-4-8-16(17)19(23-20(25)27)28-13-18(26)22-15-7-3-6-14(21)12-15/h3,6-7,12H,4-5,8-11,13H2,1-2H3,(H,22,26)
InChIKeyFGACLDMJZTXQPK-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.55
Rot. Bonds8

About 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide

2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 7385648) has the molecular formula C20H25FN4O2S and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID7385648
Molecular FormulaC20H25FN4O2S
Molecular Weight404.51 g/mol
Exact Mass404.17
IUPAC Name2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCN(C)CCCn1c2c(c(SCC(=O)Nc3cccc(F)c3)nc1=O)CCC2
InChIInChI=1S/C20H25FN4O2S/c1-24(2)10-5-11-25-17-9-4-8-16(17)19(23-20(25)27)28-13-18(26)22-15-7-3-6-14(21)12-15/h3,6-7,12H,4-5,8-11,13H2,1-2H3,(H,22,26)
InChIKeyFGACLDMJZTXQPK-UHFFFAOYSA-N
XLogP2.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide (CID 7385648) is 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide is CN(C)CCCn1c2c(c(SCC(=O)Nc3cccc(F)c3)nc1=O)CCC2.
What is the InChIKey of 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is FGACLDMJZTXQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2S/c1-24(2)10-5-11-25-17-9-4-8-16(17)19(23-20(25)27)28-13-18(26)22-15-7-3-6-14(21)12-15/h3,6-7,12H,4-5,8-11,13H2,1-2H3,(H,22,26).
What are the key properties of 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7385648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).