2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione

C15H24N2OS — CID 106476641

IUPAC2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)c(C)c(C)[nH]1)C1CCCCC1
InChIInChI=1S/C15H24N2OS/c1-4-18-13(12-8-6-5-7-9-12)14-16-11(3)10(2)15(19)17-14/h12-13H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyCYDNZXHXTFLSAM-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.41
Rot. Bonds4

About 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione

2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476641) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476641
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)c(C)c(C)[nH]1)C1CCCCC1
InChIInChI=1S/C15H24N2OS/c1-4-18-13(12-8-6-5-7-9-12)14-16-11(3)10(2)15(19)17-14/h12-13H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyCYDNZXHXTFLSAM-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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-[cyclohexyl(ethoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475359
2-[cyclohexyl(methoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475516
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475726
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
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476119
2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476263
2-(1-methoxy-4-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476600
5,6-dimethyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476621

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476641) is 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione is CCOC(c1nc(=S)c(C)c(C)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is CYDNZXHXTFLSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-18-13(12-8-6-5-7-9-12)14-16-11(3)10(2)15(19)17-14/h12-13H,4-9H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).