(5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione

C5H3F3N2O2 — CID 98155754

IUPAC(5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione
SMILESO=C1N=C[C@H](C(F)(F)F)C(=O)N1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1-2H,(H,10,11,12)/t2-/m0/s1
InChIKeyMRXNHQUYKAKAAG-REOHCLBHSA-N
MW180.09 g/mol
LogP0.49
Rot. Bonds

About (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione

(5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione (PubChem CID 98155754) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione
PubChem CID98155754
Molecular FormulaC5H3F3N2O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC Name(5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione
SMILESO=C1N=C[C@H](C(F)(F)F)C(=O)N1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1-2H,(H,10,11,12)/t2-/m0/s1
InChIKeyMRXNHQUYKAKAAG-REOHCLBHSA-N
XLogP0.49
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione?
The IUPAC name of (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione (CID 98155754) is (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione.
What is the SMILES notation for (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione?
The canonical SMILES for (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione is O=C1N=C[C@H](C(F)(F)F)C(=O)N1.
What is the InChIKey of (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione?
The InChIKey is MRXNHQUYKAKAAG-REOHCLBHSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1-2H,(H,10,11,12)/t2-/m0/s1.
What are the key properties of (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione?
(5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione has a molecular weight of 180.09 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 98155754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).