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

C11H18N2OS — CID 106476849

IUPAC5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCOCc1nc(=S)c(CC)c(C)[nH]1
InChIInChI=1S/C11H18N2OS/c1-4-6-14-7-10-12-8(3)9(5-2)11(15)13-10/h4-7H2,1-3H3,(H,12,13,15)
InChIKeyDIGNHHVNCCKWPL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.94
Rot. Bonds5

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

5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106476849) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106476849
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCOCc1nc(=S)c(CC)c(C)[nH]1
InChIInChI=1S/C11H18N2OS/c1-4-6-14-7-10-12-8(3)9(5-2)11(15)13-10/h4-7H2,1-3H3,(H,12,13,15)
InChIKeyDIGNHHVNCCKWPL-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106476929
5-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106476964
6-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106477932
6-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106478186
6-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 113839318
6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 113839353
2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(ethoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475203
2-(methoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475273
6-propan-2-yl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106475330
2-(1-ethoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475398
2-(ethoxymethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475456

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione (CID 106476849) is 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione is CCCOCc1nc(=S)c(CC)c(C)[nH]1.
What is the InChIKey of 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is DIGNHHVNCCKWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-6-14-7-10-12-8(3)9(5-2)11(15)13-10/h4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione?
5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 226.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).