6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione

C14H18F3N3O3 — CID 94177636

IUPAC6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C14H18F3N3O3/c1-8-10(12(22)19-13(23)18-8)4-5-11(21)20-6-2-3-9(7-20)14(15,16)17/h9H,2-7H2,1H3,(H2,18,19,22,23)/t9-/m0/s1
InChIKeyOJGKEQQVXDAQNY-VIFPVBQESA-N
MW333.31 g/mol
LogP1.11
Rot. Bonds3

About 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione (PubChem CID 94177636) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione
PubChem CID94177636
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C14H18F3N3O3/c1-8-10(12(22)19-13(23)18-8)4-5-11(21)20-6-2-3-9(7-20)14(15,16)17/h9H,2-7H2,1H3,(H2,18,19,22,23)/t9-/m0/s1
InChIKeyOJGKEQQVXDAQNY-VIFPVBQESA-N
XLogP1.11
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione (CID 94177636) is 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OJGKEQQVXDAQNY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-8-10(12(22)19-13(23)18-8)4-5-11(21)20-6-2-3-9(7-20)14(15,16)17/h9H,2-7H2,1H3,(H2,18,19,22,23)/t9-/m0/s1.
What are the key properties of 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 333.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-oxo-3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 94177636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).