2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione

C13H15N3O2S — CID 106521583

IUPAC2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
SMILESCCCOc1ccccc1-c1nc(=S)nc(OC)[nH]1
InChIInChI=1S/C13H15N3O2S/c1-3-8-18-10-7-5-4-6-9(10)11-14-12(17-2)16-13(19)15-11/h4-7H,3,8H2,1-2H3,(H,14,15,16,19)
InChIKeyCLVBRFSAJHUXML-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.00
Rot. Bonds5

About 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione

2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione (PubChem CID 106521583) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
PubChem CID106521583
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
SMILESCCCOc1ccccc1-c1nc(=S)nc(OC)[nH]1
InChIInChI=1S/C13H15N3O2S/c1-3-8-18-10-7-5-4-6-9(10)11-14-12(17-2)16-13(19)15-11/h4-7H,3,8H2,1-2H3,(H,14,15,16,19)
InChIKeyCLVBRFSAJHUXML-UHFFFAOYSA-N
XLogP3.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethoxyphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106521207
2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106514087
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521547
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
4-(2-propoxyphenyl)-2H-phthalazine-1-thione
CID 106521565
3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586
6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521585
3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
CID 135670774

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione (CID 106521583) is 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione is CCCOc1ccccc1-c1nc(=S)nc(OC)[nH]1.
What is the InChIKey of 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is CLVBRFSAJHUXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-8-18-10-7-5-4-6-9(10)11-14-12(17-2)16-13(19)15-11/h4-7H,3,8H2,1-2H3,(H,14,15,16,19).
What are the key properties of 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione?
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 277.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 106521583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).