2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid

C10H12N4O2 — CID 83889345

IUPAC2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
SMILESCc1cn2ncc(C(N)C(=O)O)c2nc1C
InChIInChI=1S/C10H12N4O2/c1-5-4-14-9(13-6(5)2)7(3-12-14)8(11)10(15)16/h3-4,8H,11H2,1-2H3,(H,15,16)
InChIKeyYUMQRMZEJVEWRV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.43
Rot. Bonds2

About 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid

2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid (PubChem CID 83889345) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
PubChem CID83889345
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
SMILESCc1cn2ncc(C(N)C(=O)O)c2nc1C
InChIInChI=1S/C10H12N4O2/c1-5-4-14-9(13-6(5)2)7(3-12-14)8(11)10(15)16/h3-4,8H,11H2,1-2H3,(H,15,16)
InChIKeyYUMQRMZEJVEWRV-UHFFFAOYSA-N
XLogP0.43
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid (CID 83889345) is 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid is Cc1cn2ncc(C(N)C(=O)O)c2nc1C.
What is the InChIKey of 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The InChIKey is YUMQRMZEJVEWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5-4-14-9(13-6(5)2)7(3-12-14)8(11)10(15)16/h3-4,8H,11H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid has a molecular weight of 220.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 83889345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).