4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H11BrN4OS — CID 103328583

IUPAC4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc3sccc23)cc1Br
InChIInChI=1S/C13H11BrN4OS/c1-19-10-3-2-7(6-9(10)14)16-11-8-4-5-20-12(8)18-13(15)17-11/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyOMBGXCWKDJZNCI-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.79
Rot. Bonds3

About 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328583) has the molecular formula C13H11BrN4OS and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328583
Molecular FormulaC13H11BrN4OS
Molecular Weight351.23 g/mol
Exact Mass349.98
IUPAC Name4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc3sccc23)cc1Br
InChIInChI=1S/C13H11BrN4OS/c1-19-10-3-2-7(6-9(10)14)16-11-8-4-5-20-12(8)18-13(15)17-11/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyOMBGXCWKDJZNCI-UHFFFAOYSA-N
XLogP3.79
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323394
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343
4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324810
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324814
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
4-N-(3-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329001
4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 166774034
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328583) is 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is COc1ccc(Nc2nc(N)nc3sccc23)cc1Br.
What is the InChIKey of 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OMBGXCWKDJZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4OS/c1-19-10-3-2-7(6-9(10)14)16-11-8-4-5-20-12(8)18-13(15)17-11/h2-6H,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 351.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).