2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine

C8H6ClN5OS — CID 63698168

IUPAC2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccncn2)n1
InChIInChI=1S/C8H6ClN5OS/c1-15-7-12-6(9)13-8(14-7)16-5-2-3-10-4-11-5/h2-4H,1H3
InChIKeyYEEDZVCBTQNGJD-UHFFFAOYSA-N
MW255.69 g/mol
LogP1.47
Rot. Bonds3

About 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine

2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine (PubChem CID 63698168) has the molecular formula C8H6ClN5OS and a molecular weight of 255.69 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine
PubChem CID63698168
Molecular FormulaC8H6ClN5OS
Molecular Weight255.69 g/mol
Exact Mass255.00
IUPAC Name2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccncn2)n1
InChIInChI=1S/C8H6ClN5OS/c1-15-7-12-6(9)13-8(14-7)16-5-2-3-10-4-11-5/h2-4H,1H3
InChIKeyYEEDZVCBTQNGJD-UHFFFAOYSA-N
XLogP1.47
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62859542
2-chloro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 63697644
2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine
CID 62858855
4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 63698531
2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine
CID 63238267
2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62859230
4-chloro-5-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 63732721
2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
CID 62858857
4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80936034
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923542
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
CID 66279714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine (CID 63698168) is 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine is COc1nc(Cl)nc(Sc2ccncn2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine?
The InChIKey is YEEDZVCBTQNGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5OS/c1-15-7-12-6(9)13-8(14-7)16-5-2-3-10-4-11-5/h2-4H,1H3.
What are the key properties of 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine?
2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine has a molecular weight of 255.69 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 63698168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).