2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide

C25H30N4O2S — CID 18578596

IUPAC2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2
InChIInChI=1S/C25H30N4O2S/c1-3-28(4-2)15-16-29-22-14-8-12-20(22)24(27-25(29)31)32-17-23(30)26-21-13-7-10-18-9-5-6-11-19(18)21/h5-7,9-11,13H,3-4,8,12,14-17H2,1-2H3,(H,26,30)
InChIKeyCDQJCQVXZNYEBV-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.96
Rot. Bonds9

About 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide

2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 18578596) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID18578596
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2
InChIInChI=1S/C25H30N4O2S/c1-3-28(4-2)15-16-29-22-14-8-12-20(22)24(27-25(29)31)32-17-23(30)26-21-13-7-10-18-9-5-6-11-19(18)21/h5-7,9-11,13H,3-4,8,12,14-17H2,1-2H3,(H,26,30)
InChIKeyCDQJCQVXZNYEBV-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (CID 18578596) is 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide is CCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2.
What is the InChIKey of 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is CDQJCQVXZNYEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-3-28(4-2)15-16-29-22-14-8-12-20(22)24(27-25(29)31)32-17-23(30)26-21-13-7-10-18-9-5-6-11-19(18)21/h5-7,9-11,13H,3-4,8,12,14-17H2,1-2H3,(H,26,30).
What are the key properties of 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 450.61 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(diethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 18578596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).