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

C9H10N4O2 — CID 83882720

IUPAC2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
SMILESCc1cnc2c(C(N)C(=O)O)cnn2c1
InChIInChI=1S/C9H10N4O2/c1-5-2-11-8-6(7(10)9(14)15)3-12-13(8)4-5/h2-4,7H,10H2,1H3,(H,14,15)
InChIKeyFHNQMJULOFIEIT-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.12
Rot. Bonds2

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

2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid (PubChem CID 83882720) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
PubChem CID83882720
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
SMILESCc1cnc2c(C(N)C(=O)O)cnn2c1
InChIInChI=1S/C9H10N4O2/c1-5-2-11-8-6(7(10)9(14)15)3-12-13(8)4-5/h2-4,7H,10H2,1H3,(H,14,15)
InChIKeyFHNQMJULOFIEIT-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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Related Compounds

2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 84728495
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729511
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84803125
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806527
2-Amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806528
2-Amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806708
2-[(5-Fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104605998
2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 108150921
2,2-Difluoro-2-{pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid
CID 165836198
2-[(1-Methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 43470198
2-[5-(2-Aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid
CID 67016415
3-(5,8-Dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)butanoic acid
CID 68089272

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid (CID 83882720) is 2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid is Cc1cnc2c(C(N)C(=O)O)cnn2c1.
What is the InChIKey of 2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
The InChIKey is FHNQMJULOFIEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-2-11-8-6(7(10)9(14)15)3-12-13(8)4-5/h2-4,7H,10H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid?
2-amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-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-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 83882720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).