6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione

C10H16N4S — CID 83872038

IUPAC6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione
SMILESCNCc1cc(N2CCCC2)nc(=S)[nH]1
InChIInChI=1S/C10H16N4S/c1-11-7-8-6-9(13-10(15)12-8)14-4-2-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyXOSOWJPMIWOQQF-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.46
Rot. Bonds3

About 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione

6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione (PubChem CID 83872038) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione
PubChem CID83872038
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione
SMILESCNCc1cc(N2CCCC2)nc(=S)[nH]1
InChIInChI=1S/C10H16N4S/c1-11-7-8-6-9(13-10(15)12-8)14-4-2-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyXOSOWJPMIWOQQF-UHFFFAOYSA-N
XLogP1.46
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
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-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione?
The IUPAC name of 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione (CID 83872038) is 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione is CNCc1cc(N2CCCC2)nc(=S)[nH]1.
What is the InChIKey of 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione?
The InChIKey is XOSOWJPMIWOQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-11-7-8-6-9(13-10(15)12-8)14-4-2-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione?
6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione has a molecular weight of 224.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione is sourced from PubChem (CID 83872038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).