6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione

C10H15N3S — CID 130005648

IUPAC6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione
SMILESCc1cc(N2CCCCC2)nc(=S)[nH]1
InChIInChI=1S/C10H15N3S/c1-8-7-9(12-10(14)11-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,12,14)
InChIKeyFNNJXFUAPFYHRG-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.44
Rot. Bonds1

About 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione

6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione (PubChem CID 130005648) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione
PubChem CID130005648
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione
SMILESCc1cc(N2CCCCC2)nc(=S)[nH]1
InChIInChI=1S/C10H15N3S/c1-8-7-9(12-10(14)11-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,12,14)
InChIKeyFNNJXFUAPFYHRG-UHFFFAOYSA-N
XLogP2.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-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-[(Z)-2-hydroxyprop-1-enyl]-4-piperidin-1-yl-1H-pyrimidine-2-thione
CID 135443571
6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidine-2-thione
CID 2322591
6-(2-hydroxyprop-1-enyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione
CID 4570783
6-methyl-4-[6-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)amino]hexylamino]-1H-pyrimidine-2-thione
CID 12964002
6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 17606449
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-(decylamino)-4-methylpyrimidine-2(1H)-thione
CID 53491194

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione (CID 130005648) is 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione is Cc1cc(N2CCCCC2)nc(=S)[nH]1.
What is the InChIKey of 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione?
The InChIKey is FNNJXFUAPFYHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-7-9(12-10(14)11-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,12,14).
What are the key properties of 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione?
6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione has a molecular weight of 209.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione is sourced from PubChem (CID 130005648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).