methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate

C21H27N5O4 — CID 152602298

IUPACmethyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C21H27N5O4/c1-25(9-8-16-6-4-3-5-7-16)21-23-17(20(28)22-15-19(27)29-2)14-18(24-21)26-10-12-30-13-11-26/h3-7,14H,8-13,15H2,1-2H3,(H,22,28)
InChIKeyYXUHXXUNNXDCIT-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.89
Rot. Bonds8

About methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate

methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate (PubChem CID 152602298) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate
PubChem CID152602298
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Namemethyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C21H27N5O4/c1-25(9-8-16-6-4-3-5-7-16)21-23-17(20(28)22-15-19(27)29-2)14-18(24-21)26-10-12-30-13-11-26/h3-7,14H,8-13,15H2,1-2H3,(H,22,28)
InChIKeyYXUHXXUNNXDCIT-UHFFFAOYSA-N
XLogP0.89
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate 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 methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate (CID 152602298) is methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1.
What is the InChIKey of methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate?
The InChIKey is YXUHXXUNNXDCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-25(9-8-16-6-4-3-5-7-16)21-23-17(20(28)22-15-19(27)29-2)14-18(24-21)26-10-12-30-13-11-26/h3-7,14H,8-13,15H2,1-2H3,(H,22,28).
What are the key properties of methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate?
methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate has a molecular weight of 413.48 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 152602298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).