4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide

C14H16Cl2N6O2S — CID 13371665

IUPAC4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc(Cl)nc3nc(N4CCOCC4)c(Cl)nc23)CC1
InChIInChI=1S/C14H16Cl2N6O2S/c15-10-13(21-1-5-24-6-2-21)18-11-9(17-10)12(20-14(16)19-11)22-3-7-25(23)8-4-22/h1-8H2
InChIKeyNYFWPWLSRCTEMA-UHFFFAOYSA-N
MW403.30 g/mol
LogP1.13
Rot. Bonds2

About 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide

4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 13371665) has the molecular formula C14H16Cl2N6O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID13371665
Molecular FormulaC14H16Cl2N6O2S
Molecular Weight403.30 g/mol
Exact Mass402.04
IUPAC Name4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc(Cl)nc3nc(N4CCOCC4)c(Cl)nc23)CC1
InChIInChI=1S/C14H16Cl2N6O2S/c15-10-13(21-1-5-24-6-2-21)18-11-9(17-10)12(20-14(16)19-11)22-3-7-25(23)8-4-22/h1-8H2
InChIKeyNYFWPWLSRCTEMA-UHFFFAOYSA-N
XLogP1.13
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide 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-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide (CID 13371665) is 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide is O=S1CCN(c2nc(Cl)nc3nc(N4CCOCC4)c(Cl)nc23)CC1.
What is the InChIKey of 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is NYFWPWLSRCTEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6O2S/c15-10-13(21-1-5-24-6-2-21)18-11-9(17-10)12(20-14(16)19-11)22-3-7-25(23)8-4-22/h1-8H2.
What are the key properties of 4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide?
4-(2,6-dichloro-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 403.30 g/mol, XLogP of 1.13, 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-7-morpholin-4-ylpteridin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 13371665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).