3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate

C7H10N4O2 — CID 25203094

IUPAC3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate
SMILESNc1nccc(CC([NH3+])C(=O)[O-])n1
InChIInChI=1S/C7H10N4O2/c8-5(6(12)13)3-4-1-2-10-7(9)11-4/h1-2,5H,3,8H2,(H,12,13)(H2,9,10,11)
InChIKeyLIRGSTWGMWYHBN-UHFFFAOYSA-N
MW182.18 g/mol
LogP-3.04
Rot. Bonds3

About 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate

3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate (PubChem CID 25203094) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate
PubChem CID25203094
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate
SMILESNc1nccc(CC([NH3+])C(=O)[O-])n1
InChIInChI=1S/C7H10N4O2/c8-5(6(12)13)3-4-1-2-10-7(9)11-4/h1-2,5H,3,8H2,(H,12,13)(H2,9,10,11)
InChIKeyLIRGSTWGMWYHBN-UHFFFAOYSA-N
XLogP-3.04
TPSA119.57 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 ≤ 5-3.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate (CID 25203094) is 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate is Nc1nccc(CC([NH3+])C(=O)[O-])n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate?
The InChIKey is LIRGSTWGMWYHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-5(6(12)13)3-4-1-2-10-7(9)11-4/h1-2,5H,3,8H2,(H,12,13)(H2,9,10,11).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate?
3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate has a molecular weight of 182.18 g/mol, XLogP of -3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-2-azaniumylpropanoate is sourced from PubChem (CID 25203094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).