6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione

C15H24N2OS — CID 106477666

IUPAC6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCC(C(C)C)CC2)[nH]1
InChIInChI=1S/C15H24N2OS/c1-10(2)11-4-6-12(7-5-11)15-16-13(9-18-3)8-14(19)17-15/h8,10-12H,4-7,9H2,1-3H3,(H,16,17,19)
InChIKeyGEYHZTNYZLWLOZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.22
Rot. Bonds4

About 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106477666) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106477666
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCC(C(C)C)CC2)[nH]1
InChIInChI=1S/C15H24N2OS/c1-10(2)11-4-6-12(7-5-11)15-16-13(9-18-3)8-14(19)17-15/h8,10-12H,4-7,9H2,1-3H3,(H,16,17,19)
InChIKeyGEYHZTNYZLWLOZ-UHFFFAOYSA-N
XLogP4.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.22
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

2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
2-(4,4-dimethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477592
2-(2-bicyclo[2.2.1]heptanyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477599
6-(methoxymethyl)-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477603
6-(methoxymethyl)-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106477611
2-[cyclohexyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477642
2-(1-adamantyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477660
2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477685
6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477687
6-(methoxymethyl)-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106477693
2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477733
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477753

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione (CID 106477666) is 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2CCC(C(C)C)CC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is GEYHZTNYZLWLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)11-4-6-12(7-5-11)15-16-13(9-18-3)8-14(19)17-15/h8,10-12H,4-7,9H2,1-3H3,(H,16,17,19).
What are the key properties of 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).