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

C23H26N4O2S — CID 7587801

IUPAC2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2
InChIInChI=1S/C23H26N4O2S/c1-26(2)13-14-27-20-12-6-10-18(20)22(25-23(27)29)30-15-21(28)24-19-11-5-8-16-7-3-4-9-17(16)19/h3-5,7-9,11H,6,10,12-15H2,1-2H3,(H,24,28)
InChIKeyBBXFFJOLZKWNMY-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.18
Rot. Bonds7

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

2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 7587801) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID7587801
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2
InChIInChI=1S/C23H26N4O2S/c1-26(2)13-14-27-20-12-6-10-18(20)22(25-23(27)29)30-15-21(28)24-19-11-5-8-16-7-3-4-9-17(16)19/h3-5,7-9,11H,6,10,12-15H2,1-2H3,(H,24,28)
InChIKeyBBXFFJOLZKWNMY-UHFFFAOYSA-N
XLogP3.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (CID 7587801) is 2-[[1-[2-(dimethylamino)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-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide is CN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is BBXFFJOLZKWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-26(2)13-14-27-20-12-6-10-18(20)22(25-23(27)29)30-15-21(28)24-19-11-5-8-16-7-3-4-9-17(16)19/h3-5,7-9,11H,6,10,12-15H2,1-2H3,(H,24,28).
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 422.55 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 7587801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).