4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine

C14H16Cl2N6S2 — CID 13371661

IUPAC4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine
SMILESClc1nc(N2CCSCC2)c2nc(Cl)c(N3CCSCC3)nc2n1
InChIInChI=1S/C14H16Cl2N6S2/c15-10-13(22-3-7-24-8-4-22)18-11-9(17-10)12(20-14(16)19-11)21-1-5-23-6-2-21/h1-8H2
InChIKeyJZDNMVLGMBETBJ-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.83
Rot. Bonds2

About 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine

4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine (PubChem CID 13371661) has the molecular formula C14H16Cl2N6S2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine
PubChem CID13371661
Molecular FormulaC14H16Cl2N6S2
Molecular Weight403.36 g/mol
Exact Mass402.03
IUPAC Name4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine
SMILESClc1nc(N2CCSCC2)c2nc(Cl)c(N3CCSCC3)nc2n1
InChIInChI=1S/C14H16Cl2N6S2/c15-10-13(22-3-7-24-8-4-22)18-11-9(17-10)12(20-14(16)19-11)21-1-5-23-6-2-21/h1-8H2
InChIKeyJZDNMVLGMBETBJ-UHFFFAOYSA-N
XLogP2.83
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine?
The IUPAC name of 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine (CID 13371661) is 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine.
What is the SMILES notation for 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine?
The canonical SMILES for 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine is Clc1nc(N2CCSCC2)c2nc(Cl)c(N3CCSCC3)nc2n1.
What is the InChIKey of 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine?
The InChIKey is JZDNMVLGMBETBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6S2/c15-10-13(22-3-7-24-8-4-22)18-11-9(17-10)12(20-14(16)19-11)21-1-5-23-6-2-21/h1-8H2.
What are the key properties of 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine?
4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine has a molecular weight of 403.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine is sourced from PubChem (CID 13371661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).