1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione

C7H8F3N3O2 — CID 91608336

IUPAC1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCNn1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8F3N3O2/c1-2-11-13-3-4(7(8,9)10)5(14)12-6(13)15/h3,11H,2H2,1H3,(H,12,14,15)
InChIKeySFRFHQVRBBNEOU-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.12
Rot. Bonds2

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

1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 91608336) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID91608336
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCNn1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8F3N3O2/c1-2-11-13-3-4(7(8,9)10)5(14)12-6(13)15/h3,11H,2H2,1H3,(H,12,14,15)
InChIKeySFRFHQVRBBNEOU-UHFFFAOYSA-N
XLogP0.12
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 91608336) is 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione is CCNn1cc(C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is SFRFHQVRBBNEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-2-11-13-3-4(7(8,9)10)5(14)12-6(13)15/h3,11H,2H2,1H3,(H,12,14,15).
What are the key properties of 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 223.15 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91608336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).