6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

C19H20F6N2O3 — CID 24776986

IUPAC6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCOCn1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H20F6N2O3/c1-4-30-9-27-14(15(10(2)3)16(28)26-17(27)29)7-11-5-12(18(20,21)22)8-13(6-11)19(23,24)25/h5-6,8,10H,4,7,9H2,1-3H3,(H,26,28,29)
InChIKeyKWHJUCPQQAXWRW-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.28
Rot. Bonds6

About 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 24776986) has the molecular formula C19H20F6N2O3 and a molecular weight of 438.37 g/mol. Its IUPAC name is 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID24776986
Molecular FormulaC19H20F6N2O3
Molecular Weight438.37 g/mol
Exact Mass438.14
IUPAC Name6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCOCn1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H20F6N2O3/c1-4-30-9-27-14(15(10(2)3)16(28)26-17(27)29)7-11-5-12(18(20,21)22)8-13(6-11)19(23,24)25/h5-6,8,10H,4,7,9H2,1-3H3,(H,26,28,29)
InChIKeyKWHJUCPQQAXWRW-UHFFFAOYSA-N
XLogP4.28
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 24776986) is 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is CCOCn1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is KWHJUCPQQAXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N2O3/c1-4-30-9-27-14(15(10(2)3)16(28)26-17(27)29)7-11-5-12(18(20,21)22)8-13(6-11)19(23,24)25/h5-6,8,10H,4,7,9H2,1-3H3,(H,26,28,29).
What are the key properties of 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 438.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 24776986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).