3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C7H7F3N2O2 — CID 1472056

IUPAC3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H7F3N2O2/c1-2-12-5(13)3-4(7(8,9)10)11-6(12)14/h3H,2H2,1H3,(H,11,14)
InChIKeyDHRLGCOZPIOATC-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.58
Rot. Bonds1

About 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 1472056) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID1472056
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H7F3N2O2/c1-2-12-5(13)3-4(7(8,9)10)11-6(12)14/h3H,2H2,1H3,(H,11,14)
InChIKeyDHRLGCOZPIOATC-UHFFFAOYSA-N
XLogP0.58
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
CID 1480557
Acetamide, 2,2,2-trifluoro-N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-
CID 342904
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
Uracil, 6-methyl-4-propyl-
CID 165610
Di-methyl-5-fluorouracil
CID 60060121
6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 250186
3-Allyl-6-methyluracil
CID 13602047
3-allyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 1472057
1,3-Dimethyl-6-(trifluoromethyl)uracil
CID 2758669
1-Methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11172400
3-isopropyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 11206812
1-Methyl-6-trifluoromethylpyrimidine-2,4-dione
CID 11435480

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 1472056) is 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is DHRLGCOZPIOATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-2-12-5(13)3-4(7(8,9)10)11-6(12)14/h3H,2H2,1H3,(H,11,14).
What are the key properties of 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 208.14 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1472056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).