2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

C9H10N4O2 — CID 84779006

IUPAC2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1cc2ncc(C(N)C(=O)O)cn2n1
InChIInChI=1S/C9H10N4O2/c1-5-2-7-11-3-6(4-13(7)12-5)8(10)9(14)15/h2-4,8H,10H2,1H3,(H,14,15)
InChIKeyMWFXQSOENRJYKO-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.12
Rot. Bonds2

About 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 84779006) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID84779006
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1cc2ncc(C(N)C(=O)O)cn2n1
InChIInChI=1S/C9H10N4O2/c1-5-2-7-11-3-6(4-13(7)12-5)8(10)9(14)15/h2-4,8H,10H2,1H3,(H,14,15)
InChIKeyMWFXQSOENRJYKO-UHFFFAOYSA-N
XLogP0.12
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 84779006) is 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is Cc1cc2ncc(C(N)C(=O)O)cn2n1.
What is the InChIKey of 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is MWFXQSOENRJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-2-7-11-3-6(4-13(7)12-5)8(10)9(14)15/h2-4,8H,10H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 206.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 84779006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).