4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide

C14H18F3N3O — CID 90650914

IUPAC4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)CCC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C14H18F3N3O/c1-9-10-3-2-4-11(10)20-12(19-9)6-8-18-13(21)5-7-14(15,16)17/h2-8H2,1H3,(H,18,21)
InChIKeyIDIVONVWBLITOZ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.27
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide

4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide (PubChem CID 90650914) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide
PubChem CID90650914
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)CCC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C14H18F3N3O/c1-9-10-3-2-4-11(10)20-12(19-9)6-8-18-13(21)5-7-14(15,16)17/h2-8H2,1H3,(H,18,21)
InChIKeyIDIVONVWBLITOZ-UHFFFAOYSA-N
XLogP2.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide (CID 90650914) is 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide is Cc1nc(CCNC(=O)CCC(F)(F)F)nc2c1CCC2.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide?
The InChIKey is IDIVONVWBLITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9-10-3-2-4-11(10)20-12(19-9)6-8-18-13(21)5-7-14(15,16)17/h2-8H2,1H3,(H,18,21).
What are the key properties of 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide has a molecular weight of 301.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide is sourced from PubChem (CID 90650914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).