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

C13H22N2O2S — CID 106477895

IUPAC2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)c(C(C)C)c(C)[nH]1
InChIInChI=1S/C13H22N2O2S/c1-9(2)12-10(3)14-11(15-13(12)18)5-6-17-8-7-16-4/h9H,5-8H2,1-4H3,(H,14,15,18)
InChIKeyUUEYBOAYTIPTKR-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.78
Rot. Bonds7

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

2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477895) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477895
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)c(C(C)C)c(C)[nH]1
InChIInChI=1S/C13H22N2O2S/c1-9(2)12-10(3)14-11(15-13(12)18)5-6-17-8-7-16-4/h9H,5-8H2,1-4H3,(H,14,15,18)
InChIKeyUUEYBOAYTIPTKR-UHFFFAOYSA-N
XLogP2.78
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.78
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-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475867
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-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476852
5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106476887
5-ethyl-2-(2-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476958
5-ethyl-6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106477013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477895) is 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is COCCOCCc1nc(=S)c(C(C)C)c(C)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is UUEYBOAYTIPTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)12-10(3)14-11(15-13(12)18)5-6-17-8-7-16-4/h9H,5-8H2,1-4H3,(H,14,15,18).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 270.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).