6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione

C15H24N2OS — CID 106478296

IUPAC6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2(OC)CCCC(C)C2)nc(=S)c1C
InChIInChI=1S/C15H24N2OS/c1-5-12-11(3)13(19)17-14(16-12)15(18-4)8-6-7-10(2)9-15/h10H,5-9H2,1-4H3,(H,16,17,19)
InChIKeyVNBYCNMMTJPARJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.06
Rot. Bonds3

About 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione

6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione (PubChem CID 106478296) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
PubChem CID106478296
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2(OC)CCCC(C)C2)nc(=S)c1C
InChIInChI=1S/C15H24N2OS/c1-5-12-11(3)13(19)17-14(16-12)15(18-4)8-6-7-10(2)9-15/h10H,5-9H2,1-4H3,(H,16,17,19)
InChIKeyVNBYCNMMTJPARJ-UHFFFAOYSA-N
XLogP4.06
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.06
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-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione (CID 106478296) is 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione is CCc1[nH]c(C2(OC)CCCC(C)C2)nc(=S)c1C.
What is the InChIKey of 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is VNBYCNMMTJPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-12-11(3)13(19)17-14(16-12)15(18-4)8-6-7-10(2)9-15/h10H,5-9H2,1-4H3,(H,16,17,19).
What are the key properties of 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione?
6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).