6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione

C15H24N2OS — CID 106477770

IUPAC6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)cc(COC)[nH]2)CC1
InChIInChI=1S/C15H24N2OS/c1-3-4-11-5-7-12(8-6-11)15-16-13(10-18-2)9-14(19)17-15/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,19)
InChIKeyBCNJOCKZIQALQY-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.36
Rot. Bonds5

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

6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106477770) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106477770
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)cc(COC)[nH]2)CC1
InChIInChI=1S/C15H24N2OS/c1-3-4-11-5-7-12(8-6-11)15-16-13(10-18-2)9-14(19)17-15/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,19)
InChIKeyBCNJOCKZIQALQY-UHFFFAOYSA-N
XLogP4.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione (CID 106477770) is 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione is CCCC1CCC(c2nc(=S)cc(COC)[nH]2)CC1.
What is the InChIKey of 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is BCNJOCKZIQALQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-4-11-5-7-12(8-6-11)15-16-13(10-18-2)9-14(19)17-15/h9,11-12H,3-8,10H2,1-2H3,(H,16,17,19).
What are the key properties of 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).