2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine

C12H14ClN5OS — CID 65043148

IUPAC2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C12H14ClN5OS/c1-5-19-10-16-9(13)17-12(18-10)20-11-14-7(3)6(2)8(4)15-11/h5H2,1-4H3
InChIKeyDBTIBGVYDKLGHZ-UHFFFAOYSA-N
MW311.80 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine

2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine (PubChem CID 65043148) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine
PubChem CID65043148
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC Name2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C12H14ClN5OS/c1-5-19-10-16-9(13)17-12(18-10)20-11-14-7(3)6(2)8(4)15-11/h5H2,1-4H3
InChIKeyDBTIBGVYDKLGHZ-UHFFFAOYSA-N
XLogP2.79
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine (CID 65043148) is 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine is CCOc1nc(Cl)nc(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine?
The InChIKey is DBTIBGVYDKLGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c1-5-19-10-16-9(13)17-12(18-10)20-11-14-7(3)6(2)8(4)15-11/h5H2,1-4H3.
What are the key properties of 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine?
2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine has a molecular weight of 311.80 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 65043148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).