6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione

C11H17N3S — CID 71303391

IUPAC6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione
SMILESCc1cc(N2CCC(C)CC2)nc(=S)[nH]1
InChIInChI=1S/C11H17N3S/c1-8-3-5-14(6-4-8)10-7-9(2)12-11(15)13-10/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyNQGZAFHTRIYXCG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.68
Rot. Bonds1

About 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione

6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione (PubChem CID 71303391) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione
PubChem CID71303391
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione
SMILESCc1cc(N2CCC(C)CC2)nc(=S)[nH]1
InChIInChI=1S/C11H17N3S/c1-8-3-5-14(6-4-8)10-7-9(2)12-11(15)13-10/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyNQGZAFHTRIYXCG-UHFFFAOYSA-N
XLogP2.68
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidine-2-thione
CID 83872043
6-methyl-4-piperidin-1-yl-1H-pyrimidine-2-thione
CID 130005648
2-Hydroxy-4-(4-methylpiperidin-1-yl)-6-methylpyrimidine
CID 133552200

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione (CID 71303391) is 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione is Cc1cc(N2CCC(C)CC2)nc(=S)[nH]1.
What is the InChIKey of 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione?
The InChIKey is NQGZAFHTRIYXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-3-5-14(6-4-8)10-7-9(2)12-11(15)13-10/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione?
6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione has a molecular weight of 223.34 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 71303391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).