2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid

C7H10N4O2 — CID 79918572

IUPAC2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ncncc1N
InChIInChI=1S/C7H10N4O2/c1-11(3-6(12)13)7-5(8)2-9-4-10-7/h2,4H,3,8H2,1H3,(H,12,13)
InChIKeyAXUUQUHOTJQOCZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.42
Rot. Bonds3

About 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid

2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 79918572) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid
PubChem CID79918572
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ncncc1N
InChIInChI=1S/C7H10N4O2/c1-11(3-6(12)13)7-5(8)2-9-4-10-7/h2,4H,3,8H2,1H3,(H,12,13)
InChIKeyAXUUQUHOTJQOCZ-UHFFFAOYSA-N
XLogP-0.42
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid (CID 79918572) is 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid is CN(CC(=O)O)c1ncncc1N.
What is the InChIKey of 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is AXUUQUHOTJQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11(3-6(12)13)7-5(8)2-9-4-10-7/h2,4H,3,8H2,1H3,(H,12,13).
What are the key properties of 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid?
2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 79918572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).