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

C24H34N4O2S — CID 18578669

IUPAC2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc(C)c3C)nc1=O)CCC2
InChIInChI=1S/C24H34N4O2S/c1-5-27(6-2)14-9-15-28-21-13-8-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-7-10-17(3)18(20)4/h7,10,12H,5-6,8-9,11,13-16H2,1-4H3,(H,25,29)
InChIKeyONXJIYCOXDMYQQ-UHFFFAOYSA-N
MW442.63 g/mol
LogP3.81
Rot. Bonds10

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

2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 18578669) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID18578669
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC Name2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc(C)c3C)nc1=O)CCC2
InChIInChI=1S/C24H34N4O2S/c1-5-27(6-2)14-9-15-28-21-13-8-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-7-10-17(3)18(20)4/h7,10,12H,5-6,8-9,11,13-16H2,1-4H3,(H,25,29)
InChIKeyONXJIYCOXDMYQQ-UHFFFAOYSA-N
XLogP3.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide (CID 18578669) is 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide is CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc(C)c3C)nc1=O)CCC2.
What is the InChIKey of 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is ONXJIYCOXDMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-5-27(6-2)14-9-15-28-21-13-8-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-7-10-17(3)18(20)4/h7,10,12H,5-6,8-9,11,13-16H2,1-4H3,(H,25,29).
What are the key properties of 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 442.63 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 18578669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).