6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide

C16H25N3OS — CID 107548365

IUPAC6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H25N3OS/c1-9(2)12-6-5-10(3)7-14(12)20-16-18-11(4)8-13(19-16)15(17)21/h8-10,12,14H,5-7H2,1-4H3,(H2,17,21)
InChIKeyPVNMGPSLUBKUHK-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.26
Rot. Bonds4

About 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide

6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide (PubChem CID 107548365) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide
PubChem CID107548365
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H25N3OS/c1-9(2)12-6-5-10(3)7-14(12)20-16-18-11(4)8-13(19-16)15(17)21/h8-10,12,14H,5-7H2,1-4H3,(H2,17,21)
InChIKeyPVNMGPSLUBKUHK-UHFFFAOYSA-N
XLogP3.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.26
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-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide
CID 43100670
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
CID 80944444
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 62895472
4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine
CID 80939756
6-methyl-2-(4-methylpentan-2-yloxy)pyrimidine-4-carbothioamide
CID 107548389
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 684889
5-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114408588
2-(2-cyclobutylethoxy)-6-methylpyrimidine-4-carbothioamide
CID 106201703
2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
CID 80860237
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene
CID 15832960

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide (CID 107548365) is 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(OC2CC(C)CCC2C(C)C)n1.
What is the InChIKey of 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide?
The InChIKey is PVNMGPSLUBKUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-9(2)12-6-5-10(3)7-14(12)20-16-18-11(4)8-13(19-16)15(17)21/h8-10,12,14H,5-7H2,1-4H3,(H2,17,21).
What are the key properties of 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide?
6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide has a molecular weight of 307.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide is sourced from PubChem (CID 107548365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).