2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione

C15H24N2OS — CID 106478258

IUPAC2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)c(C)c(CC)[nH]2)CCCCC1
InChIInChI=1S/C15H24N2OS/c1-4-12-11(3)13(19)17-14(16-12)15(18-5-2)9-7-6-8-10-15/h4-10H2,1-3H3,(H,16,17,19)
InChIKeyJGJYCRIOLOMXFO-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.21
Rot. Bonds4

About 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione

2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione (PubChem CID 106478258) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
PubChem CID106478258
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)c(C)c(CC)[nH]2)CCCCC1
InChIInChI=1S/C15H24N2OS/c1-4-12-11(3)13(19)17-14(16-12)15(18-5-2)9-7-6-8-10-15/h4-10H2,1-3H3,(H,16,17,19)
InChIKeyJGJYCRIOLOMXFO-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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

6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478296
2-(1-ethoxycyclopentyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477503
2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482801
2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963792
2-(1-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
3-(1-ethoxycyclopentyl)-2H-1,2,4-oxadiazole-5-thione
CID 116779617
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476925
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
2-(1-ethoxycycloheptyl)-1H-pyrimidine-6-thione
CID 106476488
2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476927
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione (CID 106478258) is 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)c(C)c(CC)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is JGJYCRIOLOMXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-12-11(3)13(19)17-14(16-12)15(18-5-2)9-7-6-8-10-15/h4-10H2,1-3H3,(H,16,17,19).
What are the key properties of 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).