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

C24H28N4O2S — CID 18578621

IUPAC2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCN(C)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2
InChIInChI=1S/C24H28N4O2S/c1-27(2)14-7-15-28-21-13-6-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-5-9-17-8-3-4-10-18(17)20/h3-5,8-10,12H,6-7,11,13-16H2,1-2H3,(H,25,29)
InChIKeyKCDJJGBVIBDGQQ-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.57
Rot. Bonds8

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

2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 18578621) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID18578621
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCN(C)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2
InChIInChI=1S/C24H28N4O2S/c1-27(2)14-7-15-28-21-13-6-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-5-9-17-8-3-4-10-18(17)20/h3-5,8-10,12H,6-7,11,13-16H2,1-2H3,(H,25,29)
InChIKeyKCDJJGBVIBDGQQ-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.57
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-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (CID 18578621) is 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide is CN(C)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)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-naphthalen-1-ylacetamide?
The InChIKey is KCDJJGBVIBDGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-27(2)14-7-15-28-21-13-6-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-5-9-17-8-3-4-10-18(17)20/h3-5,8-10,12H,6-7,11,13-16H2,1-2H3,(H,25,29).
What are the key properties of 2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
2-[[1-[3-(dimethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 436.58 g/mol, XLogP of 3.57, 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-naphthalen-1-ylacetamide is sourced from PubChem (CID 18578621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).