6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione

C13H20N2OS — CID 106477687

IUPAC6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCCC(C)C2)[nH]1
InChIInChI=1S/C13H20N2OS/c1-9-4-3-5-10(6-9)13-14-11(8-16-2)7-12(17)15-13/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyPJQVIZHGHWAGOD-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.58
Rot. Bonds3

About 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106477687) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106477687
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCCC(C)C2)[nH]1
InChIInChI=1S/C13H20N2OS/c1-9-4-3-5-10(6-9)13-14-11(8-16-2)7-12(17)15-13/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyPJQVIZHGHWAGOD-UHFFFAOYSA-N
XLogP3.58
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.58
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-(cyclopropylmethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477623
2-[cyclohexyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477642
2-(1-adamantyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477660
6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477666
2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477681
2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477685
6-(methoxymethyl)-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106477693

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione (CID 106477687) is 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2CCCC(C)C2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is PJQVIZHGHWAGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-4-3-5-10(6-9)13-14-11(8-16-2)7-12(17)15-13/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 252.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).