N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C12H16N4S — CID 107589097

IUPACN-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESc1ncc(NC2=NC3(CCCCC3)CS2)cn1
InChIInChI=1S/C12H16N4S/c1-2-4-12(5-3-1)8-17-11(16-12)15-10-6-13-9-14-7-10/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyINWPRZFZOVPXIU-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.69
Rot. Bonds1

About N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 107589097) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID107589097
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESc1ncc(NC2=NC3(CCCCC3)CS2)cn1
InChIInChI=1S/C12H16N4S/c1-2-4-12(5-3-1)8-17-11(16-12)15-10-6-13-9-14-7-10/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyINWPRZFZOVPXIU-UHFFFAOYSA-N
XLogP2.69
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 107589097) is N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is c1ncc(NC2=NC3(CCCCC3)CS2)cn1.
What is the InChIKey of N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is INWPRZFZOVPXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-2-4-12(5-3-1)8-17-11(16-12)15-10-6-13-9-14-7-10/h6-7,9H,1-5,8H2,(H,15,16).
What are the key properties of N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 107589097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).