2-(4-aminopyrimidin-2-yl)acetic acid

C6H7N3O2 — CID 70518030

IUPAC2-(4-aminopyrimidin-2-yl)acetic acid
SMILESNc1ccnc(CC(=O)O)n1
InChIInChI=1S/C6H7N3O2/c7-4-1-2-8-5(9-4)3-6(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9)
InChIKeyGOGOTNIJSNWODP-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.31
Rot. Bonds2

About 2-(4-aminopyrimidin-2-yl)acetic acid

2-(4-aminopyrimidin-2-yl)acetic acid (PubChem CID 70518030) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-(4-aminopyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-aminopyrimidin-2-yl)acetic acid
PubChem CID70518030
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2-(4-aminopyrimidin-2-yl)acetic acid
SMILESNc1ccnc(CC(=O)O)n1
InChIInChI=1S/C6H7N3O2/c7-4-1-2-8-5(9-4)3-6(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9)
InChIKeyGOGOTNIJSNWODP-UHFFFAOYSA-N
XLogP-0.31
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-aminopyrimidin-2-yl)acetic acid (CID 70518030) is 2-(4-aminopyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-aminopyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-aminopyrimidin-2-yl)acetic acid is Nc1ccnc(CC(=O)O)n1.
What is the InChIKey of 2-(4-aminopyrimidin-2-yl)acetic acid?
The InChIKey is GOGOTNIJSNWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-4-1-2-8-5(9-4)3-6(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9).
What are the key properties of 2-(4-aminopyrimidin-2-yl)acetic acid?
2-(4-aminopyrimidin-2-yl)acetic acid has a molecular weight of 153.14 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrimidin-2-yl)acetic acid is sourced from PubChem (CID 70518030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).