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

C26H32N4O2S — CID 18578663

IUPAC2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2
InChIInChI=1S/C26H32N4O2S/c1-3-29(4-2)16-9-17-30-23-15-8-13-21(23)25(28-26(30)32)33-18-24(31)27-22-14-7-11-19-10-5-6-12-20(19)22/h5-7,10-12,14H,3-4,8-9,13,15-18H2,1-2H3,(H,27,31)
InChIKeyRIUPAWBBFDMJKA-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.35
Rot. Bonds10

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

2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 18578663) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID18578663
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2
InChIInChI=1S/C26H32N4O2S/c1-3-29(4-2)16-9-17-30-23-15-8-13-21(23)25(28-26(30)32)33-18-24(31)27-22-14-7-11-19-10-5-6-12-20(19)22/h5-7,10-12,14H,3-4,8-9,13,15-18H2,1-2H3,(H,27,31)
InChIKeyRIUPAWBBFDMJKA-UHFFFAOYSA-N
XLogP4.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.35
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-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (CID 18578663) is 2-[[1-[3-(diethylamino)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-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide is CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)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-naphthalen-1-ylacetamide?
The InChIKey is RIUPAWBBFDMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-3-29(4-2)16-9-17-30-23-15-8-13-21(23)25(28-26(30)32)33-18-24(31)27-22-14-7-11-19-10-5-6-12-20(19)22/h5-7,10-12,14H,3-4,8-9,13,15-18H2,1-2H3,(H,27,31).
What are the key properties of 2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 464.64 g/mol, XLogP of 4.35, 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-naphthalen-1-ylacetamide is sourced from PubChem (CID 18578663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).