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

C13H13N3O2 — CID 91671167

IUPAC2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H13N3O2/c17-12(18)9-14-6-10-7-15-13(16-8-10)11-4-2-1-3-5-11/h1-5,7-8,14H,6,9H2,(H,17,18)
InChIKeyKKSFBHIPYQUFIT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.32
Rot. Bonds5

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

2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid (PubChem CID 91671167) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid
PubChem CID91671167
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H13N3O2/c17-12(18)9-14-6-10-7-15-13(16-8-10)11-4-2-1-3-5-11/h1-5,7-8,14H,6,9H2,(H,17,18)
InChIKeyKKSFBHIPYQUFIT-UHFFFAOYSA-N
XLogP1.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid?
The IUPAC name of 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid (CID 91671167) is 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid is O=C(O)CNCc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid?
The InChIKey is KKSFBHIPYQUFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12(18)9-14-6-10-7-15-13(16-8-10)11-4-2-1-3-5-11/h1-5,7-8,14H,6,9H2,(H,17,18).
What are the key properties of 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid?
2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid has a molecular weight of 243.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid is sourced from PubChem (CID 91671167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).