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

C12H20N2O2S — CID 106476887

IUPAC5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CCOCCOC)nc1=S
InChIInChI=1S/C12H20N2O2S/c1-4-10-9(2)13-11(14-12(10)17)5-6-16-8-7-15-3/h4-8H2,1-3H3,(H,13,14,17)
InChIKeyORRCTLVPLDSIGP-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.22
Rot. Bonds7

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

5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476887) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476887
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CCOCCOC)nc1=S
InChIInChI=1S/C12H20N2O2S/c1-4-10-9(2)13-11(14-12(10)17)5-6-16-8-7-15-3/h4-8H2,1-3H3,(H,13,14,17)
InChIKeyORRCTLVPLDSIGP-UHFFFAOYSA-N
XLogP2.22
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113839342
6-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475867
6-tert-butyl-2-(2-methoxyethyl)-1H-pyrimidine-4-thione
CID 106476002
6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476123
2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476645
5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106476849
5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476852

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione (CID 106476887) is 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(CCOCCOC)nc1=S.
What is the InChIKey of 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ORRCTLVPLDSIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-10-9(2)13-11(14-12(10)17)5-6-16-8-7-15-3/h4-8H2,1-3H3,(H,13,14,17).
What are the key properties of 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 256.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).