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

C12H14F3N3O2 — CID 136532114

IUPACN-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C12H14F3N3O2/c1-17(6-12(13,14)15)10(19)5-18-7-16-9-4-2-3-8(9)11(18)20/h7H,2-6H2,1H3
InChIKeyNFMULVREWBUXMY-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.75
Rot. Bonds3

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

N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 136532114) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID136532114
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C12H14F3N3O2/c1-17(6-12(13,14)15)10(19)5-18-7-16-9-4-2-3-8(9)11(18)20/h7H,2-6H2,1H3
InChIKeyNFMULVREWBUXMY-UHFFFAOYSA-N
XLogP0.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 136532114) is N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)Cn1cnc2c(c1=O)CCC2.
What is the InChIKey of N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NFMULVREWBUXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-17(6-12(13,14)15)10(19)5-18-7-16-9-4-2-3-8(9)11(18)20/h7H,2-6H2,1H3.
What are the key properties of N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 289.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 136532114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).