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

C12H18N2OS — CID 106475601

IUPAC2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C)[nH]2)CCCCC1
InChIInChI=1S/C12H18N2OS/c1-9-8-10(16)14-11(13-9)12(15-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyOZGNXANBKVZXQA-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.25
Rot. Bonds2

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

2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475601) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475601
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C)[nH]2)CCCCC1
InChIInChI=1S/C12H18N2OS/c1-9-8-10(16)14-11(13-9)12(15-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyOZGNXANBKVZXQA-UHFFFAOYSA-N
XLogP3.25
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.25
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-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475067
2-(2-methyloxan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475084
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-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475262
2-(1-methoxy-4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475321
2-(1-methoxycycloheptyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475322
2-(2-methyloxan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475338

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475601) is 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione is COC1(c2nc(=S)cc(C)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is OZGNXANBKVZXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-8-10(16)14-11(13-9)12(15-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 238.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).