cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid

C11H17N3O2S — CID 174839312

IUPACcyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid
SMILESCSc1ncc(C(=O)O)cn1.NC1CCCC1
InChIInChI=1S/C6H6N2O2S.C5H11N/c1-11-6-7-2-4(3-8-6)5(9)10;6-5-3-1-2-4-5/h2-3H,1H3,(H,9,10);5H,1-4,6H2
InChIKeyDCKWAQCSPZFARA-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.78
Rot. Bonds2

About cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid

cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid (PubChem CID 174839312) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Namecyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid
PubChem CID174839312
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namecyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid
SMILESCSc1ncc(C(=O)O)cn1.NC1CCCC1
InChIInChI=1S/C6H6N2O2S.C5H11N/c1-11-6-7-2-4(3-8-6)5(9)10;6-5-3-1-2-4-5/h2-3H,1H3,(H,9,10);5H,1-4,6H2
InChIKeyDCKWAQCSPZFARA-UHFFFAOYSA-N
XLogP1.78
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid (CID 174839312) is cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid is CSc1ncc(C(=O)O)cn1.NC1CCCC1.
What is the InChIKey of cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid?
The InChIKey is DCKWAQCSPZFARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S.C5H11N/c1-11-6-7-2-4(3-8-6)5(9)10;6-5-3-1-2-4-5/h2-3H,1H3,(H,9,10);5H,1-4,6H2.
What are the key properties of cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid?
cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 174839312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).