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

C14H21N3O2S — CID 7748447

IUPACN-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
SMILESCSc1nc2c(c(=O)n1CC(=O)NCC(C)C)CCC2
InChIInChI=1S/C14H21N3O2S/c1-9(2)7-15-12(18)8-17-13(19)10-5-4-6-11(10)16-14(17)20-3/h9H,4-8H2,1-3H3,(H,15,18)
InChIKeyTWDMOAPUBCHOHX-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.23
Rot. Bonds5

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

N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide (PubChem CID 7748447) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
PubChem CID7748447
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
SMILESCSc1nc2c(c(=O)n1CC(=O)NCC(C)C)CCC2
InChIInChI=1S/C14H21N3O2S/c1-9(2)7-15-12(18)8-17-13(19)10-5-4-6-11(10)16-14(17)20-3/h9H,4-8H2,1-3H3,(H,15,18)
InChIKeyTWDMOAPUBCHOHX-UHFFFAOYSA-N
XLogP1.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135444040
N-isopentyl-2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)acetamide
CID 135999137
N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135444031
N,N-Diethyl-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135617845
N-(sec-butyl)-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135617846
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
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,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748443
2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 135457145
N-[(2R)-butan-2-yl]-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135888816

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide (CID 7748447) is N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide is CSc1nc2c(c(=O)n1CC(=O)NCC(C)C)CCC2.
What is the InChIKey of N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The InChIKey is TWDMOAPUBCHOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)7-15-12(18)8-17-13(19)10-5-4-6-11(10)16-14(17)20-3/h9H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
N-(2-methylpropyl)-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 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 7748447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).