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

C10H16N2OS — CID 106476982

IUPAC2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)c(CC)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-4-8-7(3)11-9(6-13-5-2)12-10(8)14/h4-6H2,1-3H3,(H,11,12,14)
InChIKeyQGFPWHAKZDPBLJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.55
Rot. Bonds4

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

2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476982) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476982
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)c(CC)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-4-8-7(3)11-9(6-13-5-2)12-10(8)14/h4-6H2,1-3H3,(H,11,12,14)
InChIKeyQGFPWHAKZDPBLJ-UHFFFAOYSA-N
XLogP2.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476982) is 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCOCc1nc(=S)c(CC)c(C)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is QGFPWHAKZDPBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-8-7(3)11-9(6-13-5-2)12-10(8)14/h4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).