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

C14H16Cl2N6O2S — CID 13371666

IUPAC4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc3nc(Cl)nc(N4CCOCC4)c3nc2Cl)CC1
InChIInChI=1S/C14H16Cl2N6O2S/c15-10-13(22-3-7-25(23)8-4-22)18-11-9(17-10)12(20-14(16)19-11)21-1-5-24-6-2-21/h1-8H2
InChIKeyHERYZFLDKUMNCX-UHFFFAOYSA-N
MW403.30 g/mol
LogP1.13
Rot. Bonds2

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

4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide (PubChem CID 13371666) has the molecular formula C14H16Cl2N6O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide
PubChem CID13371666
Molecular FormulaC14H16Cl2N6O2S
Molecular Weight403.30 g/mol
Exact Mass402.04
IUPAC Name4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc3nc(Cl)nc(N4CCOCC4)c3nc2Cl)CC1
InChIInChI=1S/C14H16Cl2N6O2S/c15-10-13(22-3-7-25(23)8-4-22)18-11-9(17-10)12(20-14(16)19-11)21-1-5-24-6-2-21/h1-8H2
InChIKeyHERYZFLDKUMNCX-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

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Related Compounds

2,6,7-Trichloro-4-(4-morpholinyl)pteridine
CID 13371656
4-(2,6,7-Trichloropteridin-4-yl)-1,4-thiazinane 1-oxide
CID 13371658
2,6-Dichloro-4,7-bis-(1-oxido-thiomorpholino)pteridine
CID 13371659
2,6-Dichloro-4,7-dimorpholino-pteridine
CID 13371660
4-(2,6-Dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine
CID 13371661
2,6-Dichloro-7-morpholino-4-(1-oxido-thiomorpholino)pteridine
CID 13371665
6-Chloro-4-morpholino-7-(1-oxido-thiomorpholino)-2-piperazino-pteridine
CID 13371669
6-Chloro-4,7-bis-(1-oxido-thiomorpholino)-2-piperazino-pteridine
CID 13371670
6-Chloro-7-morpholino-4-(1-oxido-thiomorpholino)-2-piperazino-pteridine
CID 13371673
4-(2-Chloro-6-methyl-4-morpholin-4-ylpteridin-7-yl)morpholine
CID 13647158
4-(2-Chloro-6-methyl-7-thiomorpholin-4-ylpteridin-4-yl)morpholine
CID 13647159
2,6-Dichloro-4-thiomorpholino-7-dimethylamino-pteridine
CID 20253578

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide (CID 13371666) is 4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide is O=S1CCN(c2nc3nc(Cl)nc(N4CCOCC4)c3nc2Cl)CC1.
What is the InChIKey of 4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide?
The InChIKey is HERYZFLDKUMNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6O2S/c15-10-13(22-3-7-25(23)8-4-22)18-11-9(17-10)12(20-14(16)19-11)21-1-5-24-6-2-21/h1-8H2.
What are the key properties of 4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide?
4-(2,6-dichloro-4-morpholin-4-ylpteridin-7-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-4-morpholin-4-ylpteridin-7-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 13371666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).