6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione

C18H21F3N4O5 — CID 24665174

IUPAC6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN(C)Cc2ccccc2OC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C18H21F3N4O5/c1-24(9-11-5-3-4-6-13(11)30-18(19,20)21)10-12(26)14-15(22)25(7-8-29-2)17(28)23-16(14)27/h3-6H,7-10,22H2,1-2H3,(H,23,27,28)
InChIKeyCKHAJKIEDGLOHT-UHFFFAOYSA-N
MW430.38 g/mol
LogP0.98
Rot. Bonds9

About 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione (PubChem CID 24665174) has the molecular formula C18H21F3N4O5 and a molecular weight of 430.38 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
PubChem CID24665174
Molecular FormulaC18H21F3N4O5
Molecular Weight430.38 g/mol
Exact Mass430.15
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN(C)Cc2ccccc2OC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C18H21F3N4O5/c1-24(9-11-5-3-4-6-13(11)30-18(19,20)21)10-12(26)14-15(22)25(7-8-29-2)17(28)23-16(14)27/h3-6H,7-10,22H2,1-2H3,(H,23,27,28)
InChIKeyCKHAJKIEDGLOHT-UHFFFAOYSA-N
XLogP0.98
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-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

Related Compounds

6-amino-5-[2-[(2-methoxyphenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4851075
6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione
CID 56549542
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9336775
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4851015
6-amino-5-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4847990
6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24567591
6-amino-1-(2-methoxyethyl)-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24571774
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007048
6-amino-5-[2-(4-ethoxyphenyl)sulfanylacetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42089527
1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol
CID 111118115
2-bromo-N'-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]benzohydrazide
CID 24665023
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione (CID 24665174) is 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN(C)Cc2ccccc2OC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione?
The InChIKey is CKHAJKIEDGLOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O5/c1-24(9-11-5-3-4-6-13(11)30-18(19,20)21)10-12(26)14-15(22)25(7-8-29-2)17(28)23-16(14)27/h3-6H,7-10,22H2,1-2H3,(H,23,27,28).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione has a molecular weight of 430.38 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24665174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).