3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline

C14H13N3OS — CID 102686771

IUPAC3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
SMILESCc1cccc(N)c1Oc1ncnc2c(C)csc12
InChIInChI=1S/C14H13N3OS/c1-8-4-3-5-10(15)12(8)18-14-13-11(16-7-17-14)9(2)6-19-13/h3-7H,15H2,1-2H3
InChIKeyBTJONXVOKCGXCN-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.68
Rot. Bonds2

About 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline

3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline (PubChem CID 102686771) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
PubChem CID102686771
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
SMILESCc1cccc(N)c1Oc1ncnc2c(C)csc12
InChIInChI=1S/C14H13N3OS/c1-8-4-3-5-10(15)12(8)18-14-13-11(16-7-17-14)9(2)6-19-13/h3-7H,15H2,1-2H3
InChIKeyBTJONXVOKCGXCN-UHFFFAOYSA-N
XLogP3.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.68
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

2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686774
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
CID 102687000
3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
CID 102686754
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687093
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 102687112
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxycyclopentan-1-amine
CID 102687168
3-methyl-1-benzothiophen-7-amine
CID 12675888
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline?
The IUPAC name of 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline (CID 102686771) is 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline?
The canonical SMILES for 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline is Cc1cccc(N)c1Oc1ncnc2c(C)csc12.
What is the InChIKey of 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline?
The InChIKey is BTJONXVOKCGXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-4-3-5-10(15)12(8)18-14-13-11(16-7-17-14)9(2)6-19-13/h3-7H,15H2,1-2H3.
What are the key properties of 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline?
3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline has a molecular weight of 271.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 102686771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).