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

C7H9N3O2 — CID 84652587

IUPAC2-[(2-methylpyrimidin-5-yl)amino]acetic acid
SMILESCc1ncc(NCC(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c1-5-8-2-6(3-9-5)10-4-7(11)12/h2-3,10H,4H2,1H3,(H,11,12)
InChIKeyYMGACYIITYHGDM-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.28
Rot. Bonds3

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

2-[(2-methylpyrimidin-5-yl)amino]acetic acid (PubChem CID 84652587) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-5-yl)amino]acetic acid
PubChem CID84652587
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-[(2-methylpyrimidin-5-yl)amino]acetic acid
SMILESCc1ncc(NCC(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c1-5-8-2-6(3-9-5)10-4-7(11)12/h2-3,10H,4H2,1H3,(H,11,12)
InChIKeyYMGACYIITYHGDM-UHFFFAOYSA-N
XLogP0.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpyrimidin-5-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpyrimidin-5-yl)amino]acetic acid (CID 84652587) is 2-[(2-methylpyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpyrimidin-5-yl)amino]acetic acid is Cc1ncc(NCC(=O)O)cn1.
What is the InChIKey of 2-[(2-methylpyrimidin-5-yl)amino]acetic acid?
The InChIKey is YMGACYIITYHGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5-8-2-6(3-9-5)10-4-7(11)12/h2-3,10H,4H2,1H3,(H,11,12).
What are the key properties of 2-[(2-methylpyrimidin-5-yl)amino]acetic acid?
2-[(2-methylpyrimidin-5-yl)amino]acetic acid has a molecular weight of 167.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 84652587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).