6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

C16H18F3N3O3 — CID 4123869

IUPAC6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCOCCNc1cc(=O)n(C)c(=O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O3/c1-21-14(23)9-13(20-6-7-25-2)22(15(21)24)10-11-4-3-5-12(8-11)16(17,18)19/h3-5,8-9,20H,6-7,10H2,1-2H3
InChIKeyOLLPDVKEZAATKT-UHFFFAOYSA-N
MW357.33 g/mol
LogP1.67
Rot. Bonds6

About 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 4123869) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID4123869
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCOCCNc1cc(=O)n(C)c(=O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O3/c1-21-14(23)9-13(20-6-7-25-2)22(15(21)24)10-11-4-3-5-12(8-11)16(17,18)19/h3-5,8-9,20H,6-7,10H2,1-2H3
InChIKeyOLLPDVKEZAATKT-UHFFFAOYSA-N
XLogP1.67
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.67
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 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (CID 4123869) is 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is COCCNc1cc(=O)n(C)c(=O)n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is OLLPDVKEZAATKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-21-14(23)9-13(20-6-7-25-2)22(15(21)24)10-11-4-3-5-12(8-11)16(17,18)19/h3-5,8-9,20H,6-7,10H2,1-2H3.
What are the key properties of 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 357.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4123869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).