6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

C10H11F3N2O2 — CID 122239166

IUPAC6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CC2CC2)[nH]c(=O)n1CC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)5-15-8(16)4-7(14-9(15)17)3-6-1-2-6/h4,6H,1-3,5H2,(H,14,17)
InChIKeyQPTYCJTZELCCKQ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.05
Rot. Bonds3

About 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 122239166) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID122239166
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CC2CC2)[nH]c(=O)n1CC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)5-15-8(16)4-7(14-9(15)17)3-6-1-2-6/h4,6H,1-3,5H2,(H,14,17)
InChIKeyQPTYCJTZELCCKQ-UHFFFAOYSA-N
XLogP1.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Cyclopropyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 22075424
3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide
CID 71019137
6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione
CID 11557671
6-Propyl-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239163
6-Cyclobutyl-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239164
6-Cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239165
6-(Propan-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239168
6-(2-Methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239169
6-(Butan-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239171
6-Ethyl-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239172
6-Butyl-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239174
6-[(2S)-butan-2-yl]-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 129531945

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (CID 122239166) is 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is O=c1cc(CC2CC2)[nH]c(=O)n1CC(F)(F)F.
What is the InChIKey of 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is QPTYCJTZELCCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)5-15-8(16)4-7(14-9(15)17)3-6-1-2-6/h4,6H,1-3,5H2,(H,14,17).
What are the key properties of 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 248.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).