2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline

C16H17N3OS — CID 102902774

IUPAC2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
SMILESCc1sc2ncnc(OCCc3ccccc3N)c2c1C
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(18-9-19-16)20-8-7-12-5-3-4-6-13(12)17/h3-6,9H,7-8,17H2,1-2H3
InChIKeyXYASAGLYXMSZJN-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.51
Rot. Bonds4

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

2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline (PubChem CID 102902774) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline.

Molecular Properties

Compound Name2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
PubChem CID102902774
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
SMILESCc1sc2ncnc(OCCc3ccccc3N)c2c1C
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(18-9-19-16)20-8-7-12-5-3-4-6-13(12)17/h3-6,9H,7-8,17H2,1-2H3
InChIKeyXYASAGLYXMSZJN-UHFFFAOYSA-N
XLogP3.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.51
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

4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158
1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone
CID 112776121
N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 60869060
2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline
CID 102902960
2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline
CID 102902817
2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
CID 102902940
4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 3298243
[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)oxy-2,5-difluoroaniline
CID 63599367
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 123620501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline?
The IUPAC name of 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline (CID 102902774) is 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline.
What is the SMILES notation for 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline?
The canonical SMILES for 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline is Cc1sc2ncnc(OCCc3ccccc3N)c2c1C.
What is the InChIKey of 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline?
The InChIKey is XYASAGLYXMSZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(18-9-19-16)20-8-7-12-5-3-4-6-13(12)17/h3-6,9H,7-8,17H2,1-2H3.
What are the key properties of 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline?
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline has a molecular weight of 299.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline is sourced from PubChem (CID 102902774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).