methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate

C22H26N6O4 — CID 68513037

IUPACmethyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C(=O)N(C)c2ccc3[nH]cc(C)c3c2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H26N6O4/c1-14-12-23-17-5-4-15(10-16(14)17)27(2)21(30)18-11-19(24-13-20(29)31-3)26-22(25-18)28-6-8-32-9-7-28/h4-5,10-12,23H,6-9,13H2,1-3H3,(H,24,25,26)
InChIKeyVZLKIXASYHWGGU-UHFFFAOYSA-N
MW438.49 g/mol
LogP1.96
Rot. Bonds6

About methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate

methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate (PubChem CID 68513037) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate
PubChem CID68513037
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Namemethyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C(=O)N(C)c2ccc3[nH]cc(C)c3c2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H26N6O4/c1-14-12-23-17-5-4-15(10-16(14)17)27(2)21(30)18-11-19(24-13-20(29)31-3)26-22(25-18)28-6-8-32-9-7-28/h4-5,10-12,23H,6-9,13H2,1-3H3,(H,24,25,26)
InChIKeyVZLKIXASYHWGGU-UHFFFAOYSA-N
XLogP1.96
TPSA112.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate (CID 68513037) is methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate is COC(=O)CNc1cc(C(=O)N(C)c2ccc3[nH]cc(C)c3c2)nc(N2CCOCC2)n1.
What is the InChIKey of methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate?
The InChIKey is VZLKIXASYHWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-14-12-23-17-5-4-15(10-16(14)17)27(2)21(30)18-11-19(24-13-20(29)31-3)26-22(25-18)28-6-8-32-9-7-28/h4-5,10-12,23H,6-9,13H2,1-3H3,(H,24,25,26).
What are the key properties of methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate?
methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate has a molecular weight of 438.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 68513037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).