2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

C15H23N3O2S — CID 135457145

IUPAC2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2c(c(=O)[nH]1)CCC2)C(C)C
InChIInChI=1S/C15H23N3O2S/c1-9(2)18(10(3)4)13(19)8-21-15-16-12-7-5-6-11(12)14(20)17-15/h9-10H,5-8H2,1-4H3,(H,16,17,20)
InChIKeyOLEAKHQORKFJQJ-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.00
Rot. Bonds5

About 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 135457145) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
PubChem CID135457145
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2c(c(=O)[nH]1)CCC2)C(C)C
InChIInChI=1S/C15H23N3O2S/c1-9(2)18(10(3)4)13(19)8-21-15-16-12-7-5-6-11(12)14(20)17-15/h9-10H,5-8H2,1-4H3,(H,16,17,20)
InChIKeyOLEAKHQORKFJQJ-UHFFFAOYSA-N
XLogP2.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide with MolForge

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Related Compounds

2-(butylthio)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135504848
N-cyclohexyl-N-methyl-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)thio]acetamide
CID 135544646
N-cyclohexyl-2-(4-oxo(3,5,6,7,8-pentahydroquinazolin-2-ylthio))acetamide
CID 135773967
5-ethyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135455108
2-(5-Ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135538753
N-Cyclopentyl-2-(5-ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135546304
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135460585
5-ethyl-4-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135442429
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-(3-methylbutyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 136060686
N-(3-methylbutyl)-2-[(4-oxo-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 136060687

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 135457145) is 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nc2c(c(=O)[nH]1)CCC2)C(C)C.
What is the InChIKey of 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is OLEAKHQORKFJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9(2)18(10(3)4)13(19)8-21-15-16-12-7-5-6-11(12)14(20)17-15/h9-10H,5-8H2,1-4H3,(H,16,17,20).
What are the key properties of 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 309.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 135457145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).