2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid

C12H17N3O2 — CID 83858468

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid
SMILESCc1cc(C(C(=O)O)C2CCCC2)nc(N)n1
InChIInChI=1S/C12H17N3O2/c1-7-6-9(15-12(13)14-7)10(11(16)17)8-4-2-3-5-8/h6,8,10H,2-5H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyZOGVYZKZASVFCQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.73
Rot. Bonds3

About 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid

2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid (PubChem CID 83858468) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid
PubChem CID83858468
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid
SMILESCc1cc(C(C(=O)O)C2CCCC2)nc(N)n1
InChIInChI=1S/C12H17N3O2/c1-7-6-9(15-12(13)14-7)10(11(16)17)8-4-2-3-5-8/h6,8,10H,2-5H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyZOGVYZKZASVFCQ-UHFFFAOYSA-N
XLogP1.73
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid (CID 83858468) is 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid is Cc1cc(C(C(=O)O)C2CCCC2)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid?
The InChIKey is ZOGVYZKZASVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-6-9(15-12(13)14-7)10(11(16)17)8-4-2-3-5-8/h6,8,10H,2-5H2,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid?
2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid has a molecular weight of 235.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid is sourced from PubChem (CID 83858468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).