2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione

C9H14N2OS — CID 106476732

IUPAC2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-4-12-5-8-10-7(3)6(2)9(13)11-8/h4-5H2,1-3H3,(H,10,11,13)
InChIKeyLZFSBMANOXKOMR-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.29
Rot. Bonds3

About 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione

2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476732) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476732
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-4-12-5-8-10-7(3)6(2)9(13)11-8/h4-5H2,1-3H3,(H,10,11,13)
InChIKeyLZFSBMANOXKOMR-UHFFFAOYSA-N
XLogP2.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.29
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

5,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106476682
5,6-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106476716
5-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106476964
6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 113839353
6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106475583
2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475709
5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106476608
2-(2-ethoxybutan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476628
2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476666
2-(1-ethoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476677
2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476712
2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476735

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476732) is 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is CCOCc1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is LZFSBMANOXKOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-12-5-8-10-7(3)6(2)9(13)11-8/h4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 198.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).