2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid

C18H30N4O3 — CID 72889407

IUPAC2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCCC(CC)CNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C18H30N4O3/c1-5-13(6-2)11-19-17-20-12-14(18(3,4)16(23)24)15(21-17)22-7-9-25-10-8-22/h12-13H,5-11H2,1-4H3,(H,23,24)(H,19,20,21)
InChIKeyWXUXEIQSSIYWIC-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.52
Rot. Bonds8

About 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid

2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid (PubChem CID 72889407) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
PubChem CID72889407
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCCC(CC)CNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C18H30N4O3/c1-5-13(6-2)11-19-17-20-12-14(18(3,4)16(23)24)15(21-17)22-7-9-25-10-8-22/h12-13H,5-11H2,1-4H3,(H,23,24)(H,19,20,21)
InChIKeyWXUXEIQSSIYWIC-UHFFFAOYSA-N
XLogP2.52
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid (CID 72889407) is 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid is CCC(CC)CNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1.
What is the InChIKey of 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The InChIKey is WXUXEIQSSIYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-13(6-2)11-19-17-20-12-14(18(3,4)16(23)24)15(21-17)22-7-9-25-10-8-22/h12-13H,5-11H2,1-4H3,(H,23,24)(H,19,20,21).
What are the key properties of 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid has a molecular weight of 350.46 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 72889407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).