2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid

C9H13N3O2 — CID 83864259

IUPAC2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
SMILESCC(C)c1nc(N)cc(CC(=O)O)n1
InChIInChI=1S/C9H13N3O2/c1-5(2)9-11-6(4-8(13)14)3-7(10)12-9/h3,5H,4H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyUASIGGACZYMSPQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.81
Rot. Bonds3

About 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid

2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid (PubChem CID 83864259) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
PubChem CID83864259
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
SMILESCC(C)c1nc(N)cc(CC(=O)O)n1
InChIInChI=1S/C9H13N3O2/c1-5(2)9-11-6(4-8(13)14)3-7(10)12-9/h3,5H,4H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyUASIGGACZYMSPQ-UHFFFAOYSA-N
XLogP0.81
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid (CID 83864259) is 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid is CC(C)c1nc(N)cc(CC(=O)O)n1.
What is the InChIKey of 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid?
The InChIKey is UASIGGACZYMSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)9-11-6(4-8(13)14)3-7(10)12-9/h3,5H,4H2,1-2H3,(H,13,14)(H2,10,11,12).
What are the key properties of 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid?
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83864259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).