4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C14H12BrFN4S — CID 103323316

IUPAC4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2Br)c2cc(C)sc2n1
InChIInChI=1S/C14H12BrFN4S/c1-7-5-9-12(19-14(17-2)20-13(9)21-7)18-11-4-3-8(16)6-10(11)15/h3-6H,1-2H3,(H2,17,18,19,20)
InChIKeyYMDWAILXNFNKMD-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.69
Rot. Bonds3

About 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323316) has the molecular formula C14H12BrFN4S and a molecular weight of 367.25 g/mol. Its IUPAC name is 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323316
Molecular FormulaC14H12BrFN4S
Molecular Weight367.25 g/mol
Exact Mass366.00
IUPAC Name4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2Br)c2cc(C)sc2n1
InChIInChI=1S/C14H12BrFN4S/c1-7-5-9-12(19-14(17-2)20-13(9)21-7)18-11-4-3-8(16)6-10(11)15/h3-6H,1-2H3,(H2,17,18,19,20)
InChIKeyYMDWAILXNFNKMD-UHFFFAOYSA-N
XLogP4.69
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromo-2-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323386
4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323312
4-N-(2-bromo-3-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329297
4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327759
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334873
4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330619
2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107281374
4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330625
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330803
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323311
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103323316) is 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2ccc(F)cc2Br)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YMDWAILXNFNKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4S/c1-7-5-9-12(19-14(17-2)20-13(9)21-7)18-11-4-3-8(16)6-10(11)15/h3-6H,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 367.25 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).