4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine

C8H12N8OS — CID 123620501

IUPAC4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(ON3NNNNN3)c2c1C
InChIInChI=1S/C8H12N8OS/c1-4-5(2)18-8-6(4)7(9-3-10-8)17-16-14-12-11-13-15-16/h3,11-15H,1-2H3
InChIKeyPRUHLSWLHKIGBT-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.64
Rot. Bonds2

About 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine

4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 123620501) has the molecular formula C8H12N8OS and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID123620501
Molecular FormulaC8H12N8OS
Molecular Weight268.31 g/mol
Exact Mass268.09
IUPAC Name4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(ON3NNNNN3)c2c1C
InChIInChI=1S/C8H12N8OS/c1-4-5(2)18-8-6(4)7(9-3-10-8)17-16-14-12-11-13-15-16/h3,11-15H,1-2H3
InChIKeyPRUHLSWLHKIGBT-UHFFFAOYSA-N
XLogP-0.64
TPSA98.40 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
CID 63850530
1-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 9212485
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
CID 63599367
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
4-[4-[2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2238945
4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 3298243
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 4017331
4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158

Frequently Asked Questions

What is the IUPAC name of 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 123620501) is 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(ON3NNNNN3)c2c1C.
What is the InChIKey of 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is PRUHLSWLHKIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8OS/c1-4-5(2)18-8-6(4)7(9-3-10-8)17-16-14-12-11-13-15-16/h3,11-15H,1-2H3.
What are the key properties of 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 268.31 g/mol, XLogP of -0.64, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 123620501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).