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

C10H16N4S — CID 83872043

IUPAC6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione
SMILESNCc1cc(N2CCCCC2)nc(=S)[nH]1
InChIInChI=1S/C10H16N4S/c11-7-8-6-9(13-10(15)12-8)14-4-2-1-3-5-14/h6H,1-5,7,11H2,(H,12,13,15)
InChIKeyAKBUFKCAYLGTQG-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.59
Rot. Bonds2

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

6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione (PubChem CID 83872043) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione
PubChem CID83872043
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione
SMILESNCc1cc(N2CCCCC2)nc(=S)[nH]1
InChIInChI=1S/C10H16N4S/c11-7-8-6-9(13-10(15)12-8)14-4-2-1-3-5-14/h6H,1-5,7,11H2,(H,12,13,15)
InChIKeyAKBUFKCAYLGTQG-UHFFFAOYSA-N
XLogP1.59
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-6-(4-methylpiperazinyl)pyrimidine-2-thiol
CID 2322592
N,N-bis(6-methyl-2-sulfanyl-pyrimidine-4-yl)hexylenediamine
CID 129764220
(6-Methyl-2-sulfanylpyrimidin-4-yl)hexylenediamine
CID 129764357
6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidine-2-thione
CID 2322591
6-methyl-4-[6-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)amino]hexylamino]-1H-pyrimidine-2-thione
CID 12964002
6-methyl-4-[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)amino]ethylamino]-1H-pyrimidine-2-thione
CID 15784292
6-methyl-4-[4-(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)piperazin-1-yl]-1H-pyrimidine-2-thione
CID 20105247
4-Methyl-6-(4-methylpiperazinyl)pyrimidine-2-thiol, chloride
CID 43833964
6-methyl-4-[7-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)amino]heptylamino]-1H-pyrimidine-2-thione
CID 53491180
6-{[3-(dimethylamino)propyl]amino}-4-methylpyrimidine-2(1H)-thione
CID 53491188
6-{[2-(diethylamino)ethyl]amino}-4-methylpyrimidine-2(1H)-thione
CID 53491189
4-Methyl-6-(4-methylpiperidin-1-yl)pyrimidine-2-thiol
CID 71303391

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione?
The IUPAC name of 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione (CID 83872043) is 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione is NCc1cc(N2CCCCC2)nc(=S)[nH]1.
What is the InChIKey of 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione?
The InChIKey is AKBUFKCAYLGTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-7-8-6-9(13-10(15)12-8)14-4-2-1-3-5-14/h6H,1-5,7,11H2,(H,12,13,15).
What are the key properties of 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione?
6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione has a molecular weight of 224.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione is sourced from PubChem (CID 83872043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).