6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione

C11H17N3OS — CID 106477609

IUPAC6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-15-8-9-7-10(16)13-11(12-9)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,16)
InChIKeyBVNUQMRNLBNHNJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.28
Rot. Bonds3

About 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106477609) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106477609
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-15-8-9-7-10(16)13-11(12-9)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,16)
InChIKeyBVNUQMRNLBNHNJ-UHFFFAOYSA-N
XLogP2.28
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione (CID 106477609) is 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione is COCc1cc(=S)nc(N2CCCCC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is BVNUQMRNLBNHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-15-8-9-7-10(16)13-11(12-9)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,16).
What are the key properties of 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).