4-(2,6,7-trichloropteridin-4-yl)thiomorpholine

C10H8Cl3N5S — CID 13371657

IUPAC4-(2,6,7-trichloropteridin-4-yl)thiomorpholine
SMILESClc1nc(N2CCSCC2)c2nc(Cl)c(Cl)nc2n1
InChIInChI=1S/C10H8Cl3N5S/c11-6-7(12)15-8-5(14-6)9(17-10(13)16-8)18-1-3-19-4-2-18/h1-4H2
InChIKeyORRJIBZNMNLUHD-UHFFFAOYSA-N
MW336.64 g/mol
LogP2.93
Rot. Bonds1

About 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine

4-(2,6,7-trichloropteridin-4-yl)thiomorpholine (PubChem CID 13371657) has the molecular formula C10H8Cl3N5S and a molecular weight of 336.64 g/mol. Its IUPAC name is 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2,6,7-trichloropteridin-4-yl)thiomorpholine
PubChem CID13371657
Molecular FormulaC10H8Cl3N5S
Molecular Weight336.64 g/mol
Exact Mass334.96
IUPAC Name4-(2,6,7-trichloropteridin-4-yl)thiomorpholine
SMILESClc1nc(N2CCSCC2)c2nc(Cl)c(Cl)nc2n1
InChIInChI=1S/C10H8Cl3N5S/c11-6-7(12)15-8-5(14-6)9(17-10(13)16-8)18-1-3-19-4-2-18/h1-4H2
InChIKeyORRJIBZNMNLUHD-UHFFFAOYSA-N
XLogP2.93
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.64
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine?
The IUPAC name of 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine (CID 13371657) is 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine?
The canonical SMILES for 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine is Clc1nc(N2CCSCC2)c2nc(Cl)c(Cl)nc2n1.
What is the InChIKey of 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine?
The InChIKey is ORRJIBZNMNLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N5S/c11-6-7(12)15-8-5(14-6)9(17-10(13)16-8)18-1-3-19-4-2-18/h1-4H2.
What are the key properties of 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine?
4-(2,6,7-trichloropteridin-4-yl)thiomorpholine has a molecular weight of 336.64 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,7-trichloropteridin-4-yl)thiomorpholine is sourced from PubChem (CID 13371657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).