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

C15H24N2OS — CID 106477038

IUPAC5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2(OC)CCCC(C)C2)nc1=S
InChIInChI=1S/C15H24N2OS/c1-5-12-11(3)16-14(17-13(12)19)15(18-4)8-6-7-10(2)9-15/h10H,5-9H2,1-4H3,(H,16,17,19)
InChIKeyORHMBRNBIMNGPM-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.06
Rot. Bonds3

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

5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106477038) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106477038
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2(OC)CCCC(C)C2)nc1=S
InChIInChI=1S/C15H24N2OS/c1-5-12-11(3)16-14(17-13(12)19)15(18-4)8-6-7-10(2)9-15/h10H,5-9H2,1-4H3,(H,16,17,19)
InChIKeyORHMBRNBIMNGPM-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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Related Compounds

2-(1-methoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475066
2-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475144
2-(1-methoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475261
2-(1-methoxy-4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475321
2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475402
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475432
2-(1-ethoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475474
2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475515
2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475658
6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106475849

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione (CID 106477038) is 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2(OC)CCCC(C)C2)nc1=S.
What is the InChIKey of 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ORHMBRNBIMNGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-12-11(3)16-14(17-13(12)19)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 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-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 5-ethyl-2-(1-methoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).