2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline

C14H13N3OS — CID 63181014

IUPAC2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
SMILESCc1cc(Oc2ncnc3sccc23)c(C)cc1N
InChIInChI=1S/C14H13N3OS/c1-8-6-12(9(2)5-11(8)15)18-13-10-3-4-19-14(10)17-7-16-13/h3-7H,15H2,1-2H3
InChIKeyYSAFXZKNCXCWQV-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.68
Rot. Bonds2

About 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline

2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline (PubChem CID 63181014) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline.

Molecular Properties

Compound Name2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
PubChem CID63181014
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
SMILESCc1cc(Oc2ncnc3sccc23)c(C)cc1N
InChIInChI=1S/C14H13N3OS/c1-8-6-12(9(2)5-11(8)15)18-13-10-3-4-19-14(10)17-7-16-13/h3-7H,15H2,1-2H3
InChIKeyYSAFXZKNCXCWQV-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-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 65217084
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 104832082
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine
CID 23156574
3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol
CID 60871060
2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 107672534
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
2-thieno[2,3-d]pyrimidin-4-yloxybenzaldehyde
CID 4841673
ethyl 3,5-dichloro-4-thieno[2,3-d]pyrimidin-4-yloxybenzoate
CID 4830116
N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine
CID 106486840
4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 8895911
N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetamide
CID 8933027

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The IUPAC name of 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline (CID 63181014) is 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline.
What is the SMILES notation for 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The canonical SMILES for 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline is Cc1cc(Oc2ncnc3sccc23)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The InChIKey is YSAFXZKNCXCWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-6-12(9(2)5-11(8)15)18-13-10-3-4-19-14(10)17-7-16-13/h3-7H,15H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline?
2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline 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 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline is sourced from PubChem (CID 63181014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).