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

C9H10N4O2 — CID 105458440

IUPAC2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1cc2nc(N)c(CC(=O)O)cn2n1
InChIInChI=1S/C9H10N4O2/c1-5-2-7-11-9(10)6(3-8(14)15)4-13(7)12-5/h2,4H,3H2,1H3,(H2,10,11)(H,14,15)
InChIKeyCHBHTWWRWATEGM-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.25
Rot. Bonds2

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

2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 105458440) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID105458440
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1cc2nc(N)c(CC(=O)O)cn2n1
InChIInChI=1S/C9H10N4O2/c1-5-2-7-11-9(10)6(3-8(14)15)4-13(7)12-5/h2,4H,3H2,1H3,(H2,10,11)(H,14,15)
InChIKeyCHBHTWWRWATEGM-UHFFFAOYSA-N
XLogP0.25
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 105458440) is 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is Cc1cc2nc(N)c(CC(=O)O)cn2n1.
What is the InChIKey of 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is CHBHTWWRWATEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-2-7-11-9(10)6(3-8(14)15)4-13(7)12-5/h2,4H,3H2,1H3,(H2,10,11)(H,14,15).
What are the key properties of 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 105458440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).