N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide

C14H21N3O2S — CID 7748443

IUPACN,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(SC)nc2c(c1=O)CCC2
InChIInChI=1S/C14H21N3O2S/c1-4-16(5-2)12(18)9-17-13(19)10-7-6-8-11(10)15-14(17)20-3/h4-9H2,1-3H3
InChIKeyOISUHEBHCKSTKT-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.32
Rot. Bonds5

About N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide

N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide (PubChem CID 7748443) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
PubChem CID7748443
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(SC)nc2c(c1=O)CCC2
InChIInChI=1S/C14H21N3O2S/c1-4-16(5-2)12(18)9-17-13(19)10-7-6-8-11(10)15-14(17)20-3/h4-9H2,1-3H3
InChIKeyOISUHEBHCKSTKT-UHFFFAOYSA-N
XLogP1.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 136532114
N,N-Diethyl-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135617845
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748095
N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748098
2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 7748343
2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748436
2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748438
2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748439
3-[2-(azepan-1-yl)-2-oxoethyl]-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748440
2-methylsulfanyl-3-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748441
N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748447
5-Butyl-3,6-dimethyl-2-methylsulfanylpyrimidin-4-one
CID 121224352

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide (CID 7748443) is N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide is CCN(CC)C(=O)Cn1c(SC)nc2c(c1=O)CCC2.
What is the InChIKey of N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The InChIKey is OISUHEBHCKSTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-16(5-2)12(18)9-17-13(19)10-7-6-8-11(10)15-14(17)20-3/h4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 7748443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).