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

C11H18N2O3S — CID 106477645

IUPAC2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C11H18N2O3S/c1-14-5-6-16-4-3-10-12-9(8-15-2)7-11(17)13-10/h7H,3-6,8H2,1-2H3,(H,12,13,17)
InChIKeyKRXGOUJZXPAVEB-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.49
Rot. Bonds8

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

2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477645) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477645
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C11H18N2O3S/c1-14-5-6-16-4-3-10-12-9(8-15-2)7-11(17)13-10/h7H,3-6,8H2,1-2H3,(H,12,13,17)
InChIKeyKRXGOUJZXPAVEB-UHFFFAOYSA-N
XLogP1.49
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477610
2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477630
6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113839259
6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077027
6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
CID 94077038
2-Ethyl-6-methoxymethyl-pyrimidine-4-thiol
CID 94077049
2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475622
2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477588
6-(methoxymethyl)-2-propyl-1H-pyrimidine-4-thione
CID 106477607
6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106477612
6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106477616
2-(2-ethoxybutan-2-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477628

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477645) is 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione is COCCOCCc1nc(=S)cc(COC)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is KRXGOUJZXPAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-14-5-6-16-4-3-10-12-9(8-15-2)7-11(17)13-10/h7H,3-6,8H2,1-2H3,(H,12,13,17).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 258.34 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).