6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C20H25F3N4O4 — CID 60587778

IUPAC6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCOc1ccc(C(F)(F)F)cc1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C20H25F3N4O4/c1-5-31-15-7-6-12(20(21,22)23)8-13(15)25-9-14(28)16-17(24)27(10-11(2)3)19(30)26(4)18(16)29/h6-8,11,25H,5,9-10,24H2,1-4H3
InChIKeyRNDXYTCYJWBEQE-UHFFFAOYSA-N
MW442.44 g/mol
LogP2.50
Rot. Bonds8

About 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 60587778) has the molecular formula C20H25F3N4O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID60587778
Molecular FormulaC20H25F3N4O4
Molecular Weight442.44 g/mol
Exact Mass442.18
IUPAC Name6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCOc1ccc(C(F)(F)F)cc1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C20H25F3N4O4/c1-5-31-15-7-6-12(20(21,22)23)8-13(15)25-9-14(28)16-17(24)27(10-11(2)3)19(30)26(4)18(16)29/h6-8,11,25H,5,9-10,24H2,1-4H3
InChIKeyRNDXYTCYJWBEQE-UHFFFAOYSA-N
XLogP2.50
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 3893733
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(3-nitroanilino)acetyl]pyrimidine-2,4-dione
CID 26506118
N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2486606
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
CID 60587676
2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide
CID 60587911
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 18096439
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-benzamidobenzoate
CID 30115727
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(3-methylbutoxy)benzoate
CID 3975274
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] pentanoate
CID 3553467

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 60587778) is 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CCOc1ccc(C(F)(F)F)cc1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is RNDXYTCYJWBEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O4/c1-5-31-15-7-6-12(20(21,22)23)8-13(15)25-9-14(28)16-17(24)27(10-11(2)3)19(30)26(4)18(16)29/h6-8,11,25H,5,9-10,24H2,1-4H3.
What are the key properties of 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 442.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60587778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).