2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione

C8H7N5OS — CID 106516252

IUPAC2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione
SMILESCOc1nc(=S)nc(-c2cncnc2)[nH]1
InChIInChI=1S/C8H7N5OS/c1-14-7-11-6(12-8(15)13-7)5-2-9-4-10-3-5/h2-4H,1H3,(H,11,12,13,15)
InChIKeyQRZFJAGUOPIWEI-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.00
Rot. Bonds2

About 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione

2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione (PubChem CID 106516252) has the molecular formula C8H7N5OS and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione
PubChem CID106516252
Molecular FormulaC8H7N5OS
Molecular Weight221.25 g/mol
Exact Mass221.04
IUPAC Name2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione
SMILESCOc1nc(=S)nc(-c2cncnc2)[nH]1
InChIInChI=1S/C8H7N5OS/c1-14-7-11-6(12-8(15)13-7)5-2-9-4-10-3-5/h2-4H,1H3,(H,11,12,13,15)
InChIKeyQRZFJAGUOPIWEI-UHFFFAOYSA-N
XLogP1.00
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106516642
2-(3-chloro-4-fluorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106521080
2-(3-ethoxyphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106519900
2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106518179
2-(2,3-dichlorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106514087
2-(2,3-dimethoxyphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106521207
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
2-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106522429
methyl 3-(6-methoxy-4-sulfanylidene-1H-1,3,5-triazin-2-yl)-4-methylthiophene-2-carboxylate
CID 106522819
2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione
CID 3032885
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922109

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione (CID 106516252) is 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione is COc1nc(=S)nc(-c2cncnc2)[nH]1.
What is the InChIKey of 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione?
The InChIKey is QRZFJAGUOPIWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5OS/c1-14-7-11-6(12-8(15)13-7)5-2-9-4-10-3-5/h2-4H,1H3,(H,11,12,13,15).
What are the key properties of 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione?
2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione has a molecular weight of 221.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-pyrimidin-5-yl-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 106516252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).