2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione

C15H22N2O2S — CID 106482589

IUPAC2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione
SMILESCOC(c1nc(=S)c2c([nH]1)CCOC2)C1CCCCC1
InChIInChI=1S/C15H22N2O2S/c1-18-13(10-5-3-2-4-6-10)14-16-12-7-8-19-9-11(12)15(20)17-14/h10,13H,2-9H2,1H3,(H,16,17,20)
InChIKeyZDDIQWLBYPOPKT-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.48
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione

2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione (PubChem CID 106482589) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione
PubChem CID106482589
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione
SMILESCOC(c1nc(=S)c2c([nH]1)CCOC2)C1CCCCC1
InChIInChI=1S/C15H22N2O2S/c1-18-13(10-5-3-2-4-6-10)14-16-12-7-8-19-9-11(12)15(20)17-14/h10,13H,2-9H2,1H3,(H,16,17,20)
InChIKeyZDDIQWLBYPOPKT-UHFFFAOYSA-N
XLogP3.48
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476641
2-[cyclohexyl(ethoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476883
2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106477039
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477140
2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477288
2-[Cyclohexyl(ethoxy)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477386
2-[Cyclohexyl(methoxy)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477546
2-[cyclohexyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477642
2-[cyclohexyl(ethoxy)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477893
2-[cyclohexyl(methoxy)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478048
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478142
2-[cyclohexyl(methoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478297

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione (CID 106482589) is 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione is COC(c1nc(=S)c2c([nH]1)CCOC2)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione?
The InChIKey is ZDDIQWLBYPOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-18-13(10-5-3-2-4-6-10)14-16-12-7-8-19-9-11(12)15(20)17-14/h10,13H,2-9H2,1H3,(H,16,17,20).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione?
2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione has a molecular weight of 294.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione is sourced from PubChem (CID 106482589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).