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

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Related Compounds

4-(2,6,7-Trichloropteridin-4-yl)thiomorpholine
CID 13371657
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-dipiperidino-pteridine
CID 13371662
2,6-Dichloro-7-morpholino-4-(1-oxido-thiomorpholino)pteridine
CID 13371665
2,6-Dichloro-4-morpholino-7-(1-oxido-thiomorpholino)pteridine
CID 13371666
6-Chloro-4,7-bis-(1-oxido-thiomorpholino)-2-piperazino-pteridine
CID 13371670
6-Chloro-2-piperazino-4,7-bis-(thiomorpholino)pteridine
CID 13371672
6-Chloro-2-piperazino-4-thiomorpholino-7-dimethylamino-pteridine
CID 13371682
4-(2-Chloro-6-methyl-7-thiomorpholin-4-ylpteridin-4-yl)morpholine
CID 13647159
2,6,7-Trichloro-4-piperidin-1-ylpteridine
CID 13799883
2,6-Dichloro-4-thiomorpholino-7-dimethylamino-pteridine
CID 20253578

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).