2-[(5-phenylpyrimidin-2-yl)amino]acetic acid

C12H11N3O2 — CID 116975092

IUPAC2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H11N3O2/c16-11(17)8-15-12-13-6-10(7-14-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)(H,13,14,15)
InChIKeyGBKBQJDSZRBYKY-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.64
Rot. Bonds4

About 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid

2-[(5-phenylpyrimidin-2-yl)amino]acetic acid (PubChem CID 116975092) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
PubChem CID116975092
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H11N3O2/c16-11(17)8-15-12-13-6-10(7-14-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)(H,13,14,15)
InChIKeyGBKBQJDSZRBYKY-UHFFFAOYSA-N
XLogP1.64
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid (CID 116975092) is 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid is O=C(O)CNc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid?
The InChIKey is GBKBQJDSZRBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11(17)8-15-12-13-6-10(7-14-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid?
2-[(5-phenylpyrimidin-2-yl)amino]acetic acid has a molecular weight of 229.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylpyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 116975092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).