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

C8H11N3O2 — CID 68768286

IUPAC4-(4-aminopyrimidin-2-yl)butanoic acid
SMILESNc1ccnc(CCCC(=O)O)n1
InChIInChI=1S/C8H11N3O2/c9-6-4-5-10-7(11-6)2-1-3-8(12)13/h4-5H,1-3H2,(H,12,13)(H2,9,10,11)
InChIKeyCOZXVAMYZDNDKE-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.47
Rot. Bonds4

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

4-(4-aminopyrimidin-2-yl)butanoic acid (PubChem CID 68768286) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 4-(4-aminopyrimidin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-aminopyrimidin-2-yl)butanoic acid
PubChem CID68768286
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name4-(4-aminopyrimidin-2-yl)butanoic acid
SMILESNc1ccnc(CCCC(=O)O)n1
InChIInChI=1S/C8H11N3O2/c9-6-4-5-10-7(11-6)2-1-3-8(12)13/h4-5H,1-3H2,(H,12,13)(H2,9,10,11)
InChIKeyCOZXVAMYZDNDKE-UHFFFAOYSA-N
XLogP0.47
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrimidin-2-yl)butanoic acid?
The IUPAC name of 4-(4-aminopyrimidin-2-yl)butanoic acid (CID 68768286) is 4-(4-aminopyrimidin-2-yl)butanoic acid.
What is the SMILES notation for 4-(4-aminopyrimidin-2-yl)butanoic acid?
The canonical SMILES for 4-(4-aminopyrimidin-2-yl)butanoic acid is Nc1ccnc(CCCC(=O)O)n1.
What is the InChIKey of 4-(4-aminopyrimidin-2-yl)butanoic acid?
The InChIKey is COZXVAMYZDNDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-6-4-5-10-7(11-6)2-1-3-8(12)13/h4-5H,1-3H2,(H,12,13)(H2,9,10,11).
What are the key properties of 4-(4-aminopyrimidin-2-yl)butanoic acid?
4-(4-aminopyrimidin-2-yl)butanoic acid has a molecular weight of 181.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrimidin-2-yl)butanoic acid is sourced from PubChem (CID 68768286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).