2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine

C14H8BrClF2N2S — CID 107532954

IUPAC2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(-c3ccc(F)c(F)c3Br)nc2s1
InChIInChI=1S/C14H8BrClF2N2S/c1-2-6-5-8-12(16)19-13(20-14(8)21-6)7-3-4-9(17)11(18)10(7)15/h3-5H,2H2,1H3
InChIKeyJETJJPXDWDPSNQ-UHFFFAOYSA-N
MW389.65 g/mol
LogP5.61
Rot. Bonds2

About 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine

2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 107532954) has the molecular formula C14H8BrClF2N2S and a molecular weight of 389.65 g/mol. Its IUPAC name is 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine
PubChem CID107532954
Molecular FormulaC14H8BrClF2N2S
Molecular Weight389.65 g/mol
Exact Mass387.92
IUPAC Name2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(-c3ccc(F)c(F)c3Br)nc2s1
InChIInChI=1S/C14H8BrClF2N2S/c1-2-6-5-8-12(16)19-13(20-14(8)21-6)7-3-4-9(17)11(18)10(7)15/h3-5H,2H2,1H3
InChIKeyJETJJPXDWDPSNQ-UHFFFAOYSA-N
XLogP5.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.65
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine
CID 63663426
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614303
4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine
CID 95528672
4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine
CID 82309139
2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 107537899
2-(3,4-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63615139
6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 81274014
4-chloro-2-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 55247605
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 107539759
2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618711

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine (CID 107532954) is 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(Cl)nc(-c3ccc(F)c(F)c3Br)nc2s1.
What is the InChIKey of 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is JETJJPXDWDPSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2N2S/c1-2-6-5-8-12(16)19-13(20-14(8)21-6)7-3-4-9(17)11(18)10(7)15/h3-5H,2H2,1H3.
What are the key properties of 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine?
2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 389.65 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 107532954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).