1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione

C11H16F3N3O3 — CID 63828232

IUPAC1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCCOCC(F)(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C11H16F3N3O3/c1-16-8(5-9(18)17(2)10(16)19)6-15-3-4-20-7-11(12,13)14/h5,15H,3-4,6-7H2,1-2H3
InChIKeyUFXFHGNFUNERFU-UHFFFAOYSA-N
MW295.26 g/mol
LogP-0.25
Rot. Bonds6

About 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 63828232) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID63828232
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCCOCC(F)(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C11H16F3N3O3/c1-16-8(5-9(18)17(2)10(16)19)6-15-3-4-20-7-11(12,13)14/h5,15H,3-4,6-7H2,1-2H3
InChIKeyUFXFHGNFUNERFU-UHFFFAOYSA-N
XLogP-0.25
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione (CID 63828232) is 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione is Cn1c(CNCCOCC(F)(F)F)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is UFXFHGNFUNERFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-16-8(5-9(18)17(2)10(16)19)6-15-3-4-20-7-11(12,13)14/h5,15H,3-4,6-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 295.26 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63828232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).