5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione

C11H18N2OS — CID 106476852

IUPAC5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CCCOC)nc1=S
InChIInChI=1S/C11H18N2OS/c1-4-9-8(2)12-10(13-11(9)15)6-5-7-14-3/h4-7H2,1-3H3,(H,12,13,15)
InChIKeyISWBDIOQPHJGRU-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.59
Rot. Bonds5

About 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione

5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476852) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476852
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CCCOC)nc1=S
InChIInChI=1S/C11H18N2OS/c1-4-9-8(2)12-10(13-11(9)15)6-5-7-14-3/h4-7H2,1-3H3,(H,12,13,15)
InChIKeyISWBDIOQPHJGRU-UHFFFAOYSA-N
XLogP2.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476868
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476869
6-methyl-5-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106477880
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477881
2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478130
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
2,5-diethyl-6-methyl-1H-pyrimidine-4-thione
CID 94077050
2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475078
2-(3-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475333
6-tert-butyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106475839
6-tert-butyl-2-(2-methoxypropyl)-1H-pyrimidine-4-thione
CID 106475938
6-tert-butyl-2-(2-methoxyethyl)-1H-pyrimidine-4-thione
CID 106476002

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione (CID 106476852) is 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(CCCOC)nc1=S.
What is the InChIKey of 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ISWBDIOQPHJGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-9-8(2)12-10(13-11(9)15)6-5-7-14-3/h4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 226.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).