2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione

C11H16N2S — CID 106476425

IUPAC2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione
SMILESCC1CCCC(c2nccc(=S)[nH]2)C1
InChIInChI=1S/C11H16N2S/c1-8-3-2-4-9(7-8)11-12-6-5-10(14)13-11/h5-6,8-9H,2-4,7H2,1H3,(H,12,13,14)
InChIKeySQWGZNCXIHDKFG-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.43
Rot. Bonds1

About 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione

2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione (PubChem CID 106476425) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione
PubChem CID106476425
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione
SMILESCC1CCCC(c2nccc(=S)[nH]2)C1
InChIInChI=1S/C11H16N2S/c1-8-3-2-4-9(7-8)11-12-6-5-10(14)13-11/h5-6,8-9H,2-4,7H2,1H3,(H,12,13,14)
InChIKeySQWGZNCXIHDKFG-UHFFFAOYSA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propylcyclohexyl)-1H-pyrimidine-6-thione
CID 106476511
5-bromo-6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106479093
6-ethyl-5-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106478191
[2-(3-methylcyclohexyl)pyrimidin-4-yl]methanol
CID 62749547
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
1-methyl-2-(3-methylcyclohexyl)imidazole
CID 66875294
5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 127004880
2-(3-methylcyclohexyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716367
1-[2-(3-methylcyclohexyl)pyrimidin-4-yl]propan-2-amine
CID 62746094
2-(3-methylcyclopentyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477446
2-[(3-methylcyclohexyl)amino]pyridine-4-carbothioamide
CID 43370621
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione (CID 106476425) is 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione is CC1CCCC(c2nccc(=S)[nH]2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione?
The InChIKey is SQWGZNCXIHDKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8-3-2-4-9(7-8)11-12-6-5-10(14)13-11/h5-6,8-9H,2-4,7H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione?
2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione has a molecular weight of 208.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).