1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione

C8H9F3N2O2 — CID 20587495

IUPAC1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)n1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9F3N2O2/c1-4(2)13-3-5(8(9,10)11)6(14)12-7(13)15/h3-4H,1-2H3,(H,12,14,15)
InChIKeyLAMMLTFDTJADOA-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.14
Rot. Bonds1

About 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione

1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 20587495) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID20587495
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)n1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9F3N2O2/c1-4(2)13-3-5(8(9,10)11)6(14)12-7(13)15/h3-4H,1-2H3,(H,12,14,15)
InChIKeyLAMMLTFDTJADOA-UHFFFAOYSA-N
XLogP1.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Trifluoromethyluracil
CID 5899
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
5-trifluoromethyl-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71720653
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-(1-methylethyl)-2,4-dioxo-
CID 151528
1-Ethylthymine
CID 5246756
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-2,4-dioxo-N-propyl-
CID 149039
1-[(E)-4-aminobut-2-enyl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 16074139
1,3-Dimethyl-5-trifluoromethyluracil
CID 11333246
1-Methyl-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 13004982
5-(1,1-Difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 118332950
1-Isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2779165

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 20587495) is 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione is CC(C)n1cc(C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is LAMMLTFDTJADOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-4(2)13-3-5(8(9,10)11)6(14)12-7(13)15/h3-4H,1-2H3,(H,12,14,15).
What are the key properties of 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 222.17 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20587495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).