2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C15H24N2OS — CID 106477039

IUPAC2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C(OC)C2CCCCC2)nc1=S
InChIInChI=1S/C15H24N2OS/c1-4-12-10(2)16-14(17-15(12)19)13(18-3)11-8-6-5-7-9-11/h11,13H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyZZTQLXVTWYPGCW-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.28
Rot. Bonds4

About 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106477039) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106477039
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C(OC)C2CCCCC2)nc1=S
InChIInChI=1S/C15H24N2OS/c1-4-12-10(2)16-14(17-15(12)19)13(18-3)11-8-6-5-7-9-11/h11,13H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyZZTQLXVTWYPGCW-UHFFFAOYSA-N
XLogP4.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.28
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-[cyclohexyl(ethoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475103
2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475262
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-[cyclohexyl(methoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475516
2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475763
6-tert-butyl-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidine-4-thione
CID 106475865
6-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidine-4-thione
CID 106476019
6-ethyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106476103
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476119
2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476224

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106477039) is 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C(OC)C2CCCCC2)nc1=S.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ZZTQLXVTWYPGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-12-10(2)16-14(17-15(12)19)13(18-3)11-8-6-5-7-9-11/h11,13H,4-9H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).