4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one

C10H16N4OS — CID 135974734

IUPAC4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC2CCNCC2)n1
InChIInChI=1S/C10H16N4OS/c11-8-5-9(15)14-10(13-8)16-6-7-1-3-12-4-2-7/h5,7,12H,1-4,6H2,(H3,11,13,14,15)
InChIKeyHJZOTEOECKHZNB-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.44
Rot. Bonds3

About 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one

4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 135974734) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID135974734
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC2CCNCC2)n1
InChIInChI=1S/C10H16N4OS/c11-8-5-9(15)14-10(13-8)16-6-7-1-3-12-4-2-7/h5,7,12H,1-4,6H2,(H3,11,13,14,15)
InChIKeyHJZOTEOECKHZNB-UHFFFAOYSA-N
XLogP0.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one (CID 135974734) is 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCC2CCNCC2)n1.
What is the InChIKey of 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is HJZOTEOECKHZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-8-5-9(15)14-10(13-8)16-6-7-1-3-12-4-2-7/h5,7,12H,1-4,6H2,(H3,11,13,14,15).
What are the key properties of 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one?
4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 240.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135974734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).