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

C10H16N2OS — CID 106476608

IUPAC5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCOCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-4-5-13-6-9-11-8(3)7(2)10(14)12-9/h4-6H2,1-3H3,(H,11,12,14)
InChIKeyOSVFQWLMWBHRQV-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.68
Rot. Bonds4

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

5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106476608) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106476608
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCOCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-4-5-13-6-9-11-8(3)7(2)10(14)12-9/h4-6H2,1-3H3,(H,11,12,14)
InChIKeyOSVFQWLMWBHRQV-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

5,6-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
6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106475583
2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475709
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-(1-methoxybutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476680
2-(3-ethoxypentan-3-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476707
2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476712
2-(2-methoxybutan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476713
2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476732

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione (CID 106476608) is 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione is CCCOCc1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is OSVFQWLMWBHRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-13-6-9-11-8(3)7(2)10(14)12-9/h4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).