3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid

C21H21N3O4 — CID 15860373

IUPAC3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
SMILESCOc1cc(C)nc(OC(C(=O)O)C(N)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O4/c1-14-13-17(27-2)24-20(23-14)28-18(19(25)26)21(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,22H2,1-2H3,(H,25,26)
InChIKeyZHHPWIUKAQKOHI-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.53
Rot. Bonds7

About 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid

3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid (PubChem CID 15860373) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
PubChem CID15860373
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
SMILESCOc1cc(C)nc(OC(C(=O)O)C(N)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O4/c1-14-13-17(27-2)24-20(23-14)28-18(19(25)26)21(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,22H2,1-2H3,(H,25,26)
InChIKeyZHHPWIUKAQKOHI-UHFFFAOYSA-N
XLogP2.53
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid?
The IUPAC name of 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid (CID 15860373) is 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid.
What is the SMILES notation for 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid?
The canonical SMILES for 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid is COc1cc(C)nc(OC(C(=O)O)C(N)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid?
The InChIKey is ZHHPWIUKAQKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-13-17(27-2)24-20(23-14)28-18(19(25)26)21(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,22H2,1-2H3,(H,25,26).
What are the key properties of 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid?
3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid has a molecular weight of 379.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid is sourced from PubChem (CID 15860373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).