2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid

C10H11N5O2 — CID 23546000

IUPAC2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1nccc(-n2cccn2)n1
InChIInChI=1S/C10H11N5O2/c1-14(7-9(16)17)10-11-5-3-8(13-10)15-6-2-4-12-15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyZIUONVDUGAKFPX-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.18
Rot. Bonds4

About 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid

2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid (PubChem CID 23546000) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid
PubChem CID23546000
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1nccc(-n2cccn2)n1
InChIInChI=1S/C10H11N5O2/c1-14(7-9(16)17)10-11-5-3-8(13-10)15-6-2-4-12-15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyZIUONVDUGAKFPX-UHFFFAOYSA-N
XLogP0.18
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid (CID 23546000) is 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid is CN(CC(=O)O)c1nccc(-n2cccn2)n1.
What is the InChIKey of 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid?
The InChIKey is ZIUONVDUGAKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-14(7-9(16)17)10-11-5-3-8(13-10)15-6-2-4-12-15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid?
2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid has a molecular weight of 233.23 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 23546000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).