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

C14H12BrFN4S — CID 103323311

IUPAC4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(Nc3ccc(F)cc3Br)nc(N)nc2s1
InChIInChI=1S/C14H12BrFN4S/c1-2-8-6-9-12(19-14(17)20-13(9)21-8)18-11-4-3-7(16)5-10(11)15/h3-6H,2H2,1H3,(H3,17,18,19,20)
InChIKeyZOCRTBFWBIRTHE-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.48
Rot. Bonds3

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

4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323311) has the molecular formula C14H12BrFN4S and a molecular weight of 367.25 g/mol. Its IUPAC name is 4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323311
Molecular FormulaC14H12BrFN4S
Molecular Weight367.25 g/mol
Exact Mass366.00
IUPAC Name4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(Nc3ccc(F)cc3Br)nc(N)nc2s1
InChIInChI=1S/C14H12BrFN4S/c1-2-8-6-9-12(19-14(17)20-13(9)21-8)18-11-4-3-7(16)5-10(11)15/h3-6H,2H2,1H3,(H3,17,18,19,20)
InChIKeyZOCRTBFWBIRTHE-UHFFFAOYSA-N
XLogP4.48
TPSA63.83 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 ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-bromo-5-methylphenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329440
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323316
4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325532
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 46362698
4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334079
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80748472
4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531844
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103323311) is 4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(Nc3ccc(F)cc3Br)nc(N)nc2s1.
What is the InChIKey of 4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZOCRTBFWBIRTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4S/c1-2-8-6-9-12(19-14(17)20-13(9)21-8)18-11-4-3-7(16)5-10(11)15/h3-6H,2H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 367.25 g/mol, XLogP of 4.48, 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)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).