2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide

C20H27F3N8O4 — CID 155270270

IUPAC2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide
SMILESCN(C)CC(=O)N(C)c1ncc(Nc2ncc(C(F)(F)F)c(NCCCN3CCCOC3=O)n2)o1
InChIInChI=1S/C20H27F3N8O4/c1-29(2)12-15(32)30(3)18-26-11-14(35-18)27-17-25-10-13(20(21,22)23)16(28-17)24-6-4-7-31-8-5-9-34-19(31)33/h10-11H,4-9,12H2,1-3H3,(H2,24,25,27,28)
InChIKeyXZSBBYZTJWDETJ-UHFFFAOYSA-N
MW500.48 g/mol
LogP2.40
Rot. Bonds10

About 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide

2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide (PubChem CID 155270270) has the molecular formula C20H27F3N8O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide
PubChem CID155270270
Molecular FormulaC20H27F3N8O4
Molecular Weight500.48 g/mol
Exact Mass500.21
IUPAC Name2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide
SMILESCN(C)CC(=O)N(C)c1ncc(Nc2ncc(C(F)(F)F)c(NCCCN3CCCOC3=O)n2)o1
InChIInChI=1S/C20H27F3N8O4/c1-29(2)12-15(32)30(3)18-26-11-14(35-18)27-17-25-10-13(20(21,22)23)16(28-17)24-6-4-7-31-8-5-9-34-19(31)33/h10-11H,4-9,12H2,1-3H3,(H2,24,25,27,28)
InChIKeyXZSBBYZTJWDETJ-UHFFFAOYSA-N
XLogP2.40
TPSA128.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide 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 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide (CID 155270270) is 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide is CN(C)CC(=O)N(C)c1ncc(Nc2ncc(C(F)(F)F)c(NCCCN3CCCOC3=O)n2)o1.
What is the InChIKey of 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide?
The InChIKey is XZSBBYZTJWDETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N8O4/c1-29(2)12-15(32)30(3)18-26-11-14(35-18)27-17-25-10-13(20(21,22)23)16(28-17)24-6-4-7-31-8-5-9-34-19(31)33/h10-11H,4-9,12H2,1-3H3,(H2,24,25,27,28).
What are the key properties of 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide?
2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide has a molecular weight of 500.48 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-N-[5-[[4-[3-(2-oxo-1,3-oxazinan-3-yl)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-oxazol-2-yl]acetamide is sourced from PubChem (CID 155270270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).