2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide

C15H24N4S — CID 107547245

IUPAC2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4S/c1-10-9-12(13(16)20)18-14(17-10)19-7-5-11(6-8-19)15(2,3)4/h9,11H,5-8H2,1-4H3,(H2,16,20)
InChIKeyRAZIKKSHBBIBEI-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.68
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide

2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide (PubChem CID 107547245) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide
PubChem CID107547245
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4S/c1-10-9-12(13(16)20)18-14(17-10)19-7-5-11(6-8-19)15(2,3)4/h9,11H,5-8H2,1-4H3,(H2,16,20)
InChIKeyRAZIKKSHBBIBEI-UHFFFAOYSA-N
XLogP2.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
2-[1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 107547028
2-(3-tert-butylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107554334
6-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-4-carbothioamide
CID 107547681
2-[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbothioamide
CID 107547420
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
6-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidine-4-carbothioamide
CID 107547818
2-(4-acetyl-1,4-diazepan-1-yl)-6-methylpyrimidine-4-carbothioamide
CID 107547072
2-(1,3-dihydroisoindol-2-yl)-6-methylpyrimidine-4-carbothioamide
CID 107547264
6-methyl-2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carbothioamide
CID 107547883
2-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidine-4-carbothioamide
CID 107546727
2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbothioamide
CID 81035294

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide (CID 107547245) is 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(N2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide?
The InChIKey is RAZIKKSHBBIBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10-9-12(13(16)20)18-14(17-10)19-7-5-11(6-8-19)15(2,3)4/h9,11H,5-8H2,1-4H3,(H2,16,20).
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide?
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide is sourced from PubChem (CID 107547245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).