2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid

C11H15N3O2 — CID 83857228

IUPAC2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid
SMILESNc1cc(C(C(=O)O)C2CCCC2)ncn1
InChIInChI=1S/C11H15N3O2/c12-9-5-8(13-6-14-9)10(11(15)16)7-3-1-2-4-7/h5-7,10H,1-4H2,(H,15,16)(H2,12,13,14)
InChIKeyZVCPUMTZTOHXQB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.42
Rot. Bonds3

About 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid

2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid (PubChem CID 83857228) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid
PubChem CID83857228
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid
SMILESNc1cc(C(C(=O)O)C2CCCC2)ncn1
InChIInChI=1S/C11H15N3O2/c12-9-5-8(13-6-14-9)10(11(15)16)7-3-1-2-4-7/h5-7,10H,1-4H2,(H,15,16)(H2,12,13,14)
InChIKeyZVCPUMTZTOHXQB-UHFFFAOYSA-N
XLogP1.42
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid?
The IUPAC name of 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid (CID 83857228) is 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid.
What is the SMILES notation for 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid?
The canonical SMILES for 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid is Nc1cc(C(C(=O)O)C2CCCC2)ncn1.
What is the InChIKey of 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid?
The InChIKey is ZVCPUMTZTOHXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-9-5-8(13-6-14-9)10(11(15)16)7-3-1-2-4-7/h5-7,10H,1-4H2,(H,15,16)(H2,12,13,14).
What are the key properties of 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid?
2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid is sourced from PubChem (CID 83857228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).