5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione

C14H22N2OS — CID 106476864

IUPAC5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2(OC)CCCCC2)nc1=S
InChIInChI=1S/C14H22N2OS/c1-4-11-10(2)15-13(16-12(11)18)14(17-3)8-6-5-7-9-14/h4-9H2,1-3H3,(H,15,16,18)
InChIKeyKROJYRKJDSZUQN-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.82
Rot. Bonds3

About 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione

5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476864) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476864
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2(OC)CCCCC2)nc1=S
InChIInChI=1S/C14H22N2OS/c1-4-11-10(2)15-13(16-12(11)18)14(17-3)8-6-5-7-9-14/h4-9H2,1-3H3,(H,15,16,18)
InChIKeyKROJYRKJDSZUQN-UHFFFAOYSA-N
XLogP3.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.82
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-methoxy-4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475179
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475220
2-(1-ethoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475221
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-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-ethoxy-4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475475
2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475515

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione (CID 106476864) is 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2(OC)CCCCC2)nc1=S.
What is the InChIKey of 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is KROJYRKJDSZUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-11-10(2)15-13(16-12(11)18)14(17-3)8-6-5-7-9-14/h4-9H2,1-3H3,(H,15,16,18).
What are the key properties of 5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 3.82, 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-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).