4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline

C14H11F2N3OS — CID 63599367

IUPAC4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
SMILESCc1sc2ncnc(Oc3cc(F)c(N)cc3F)c2c1C
InChIInChI=1S/C14H11F2N3OS/c1-6-7(2)21-14-12(6)13(18-5-19-14)20-11-4-8(15)10(17)3-9(11)16/h3-5H,17H2,1-2H3
InChIKeyIAXOZJLVRJRISX-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.96
Rot. Bonds2

About 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline

4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline (PubChem CID 63599367) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline.

Molecular Properties

Compound Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
PubChem CID63599367
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
SMILESCc1sc2ncnc(Oc3cc(F)c(N)cc3F)c2c1C
InChIInChI=1S/C14H11F2N3OS/c1-6-7(2)21-14-12(6)13(18-5-19-14)20-11-4-8(15)10(17)3-9(11)16/h3-5H,17H2,1-2H3
InChIKeyIAXOZJLVRJRISX-UHFFFAOYSA-N
XLogP3.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
2,5-difluoro-4-(7H-purin-6-yloxy)aniline
CID 63598478
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
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 123620501
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
CID 63850530

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline?
The IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline (CID 63599367) is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline.
What is the SMILES notation for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline?
The canonical SMILES for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline is Cc1sc2ncnc(Oc3cc(F)c(N)cc3F)c2c1C.
What is the InChIKey of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline?
The InChIKey is IAXOZJLVRJRISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-6-7(2)21-14-12(6)13(18-5-19-14)20-11-4-8(15)10(17)3-9(11)16/h3-5H,17H2,1-2H3.
What are the key properties of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline?
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline has a molecular weight of 307.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline is sourced from PubChem (CID 63599367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).