4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione

C11H17N3S — CID 105481259

IUPAC4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione
SMILESCc1nc(=S)[nH]c(C)c1C1CCCNC1
InChIInChI=1S/C11H17N3S/c1-7-10(8(2)14-11(15)13-7)9-4-3-5-12-6-9/h9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYIVRKYSNQKWGGS-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.22
Rot. Bonds1

About 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione

4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione (PubChem CID 105481259) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione
PubChem CID105481259
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione
SMILESCc1nc(=S)[nH]c(C)c1C1CCCNC1
InChIInChI=1S/C11H17N3S/c1-7-10(8(2)14-11(15)13-7)9-4-3-5-12-6-9/h9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYIVRKYSNQKWGGS-UHFFFAOYSA-N
XLogP2.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole
CID 84786345
4,6-dimethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2-thione
CID 105481256
3-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 105492309
5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione
CID 83670870
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
CID 84643993
4-methyl-2-piperidin-3-yl-5,7-dihydrofuro[3,4-d]pyrimidine
CID 105474388
3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
CID 105478412

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione?
The IUPAC name of 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione (CID 105481259) is 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione.
What is the SMILES notation for 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione?
The canonical SMILES for 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione is Cc1nc(=S)[nH]c(C)c1C1CCCNC1.
What is the InChIKey of 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione?
The InChIKey is YIVRKYSNQKWGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7-10(8(2)14-11(15)13-7)9-4-3-5-12-6-9/h9,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione?
4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione has a molecular weight of 223.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione is sourced from PubChem (CID 105481259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).