2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione

C13H20N2OS — CID 106475763

IUPAC2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCOC(c1nc(=S)cc(C)[nH]1)C1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-9-8-11(17)15-13(14-9)12(16-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyHKNVVOGBQKCSKY-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.72
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione

2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475763) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475763
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCOC(c1nc(=S)cc(C)[nH]1)C1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-9-8-11(17)15-13(14-9)12(16-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyHKNVVOGBQKCSKY-UHFFFAOYSA-N
XLogP3.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.72
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-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-[cyclohexyl(ethoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475103
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475220
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-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
2-[cyclohexyl(ethoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475359
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-[cyclohexyl(methoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475516
2-(1-methoxycycloheptyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475576
6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106475594

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione (CID 106475763) is 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione is COC(c1nc(=S)cc(C)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is HKNVVOGBQKCSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-8-11(17)15-13(14-9)12(16-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 252.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).