2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C12H8BrF2N3S — CID 107539786

IUPAC2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)c(F)c2Br)nc2c1CSC2
InChIInChI=1S/C12H8BrF2N3S/c13-9-5(1-2-7(14)10(9)15)12-17-8-4-19-3-6(8)11(16)18-12/h1-2H,3-4H2,(H2,16,17,18)
InChIKeySXRSJZLCORHVGR-UHFFFAOYSA-N
MW344.18 g/mol
LogP3.51
Rot. Bonds1

About 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 107539786) has the molecular formula C12H8BrF2N3S and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID107539786
Molecular FormulaC12H8BrF2N3S
Molecular Weight344.18 g/mol
Exact Mass342.96
IUPAC Name2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)c(F)c2Br)nc2c1CSC2
InChIInChI=1S/C12H8BrF2N3S/c13-9-5(1-2-7(14)10(9)15)12-17-8-4-19-3-6(8)11(16)18-12/h1-2H,3-4H2,(H2,16,17,18)
InChIKeySXRSJZLCORHVGR-UHFFFAOYSA-N
XLogP3.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201182
2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201580
2-(5-fluoro-2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190763
2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191278
5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
CID 107539770
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
2-[5-fluoro-2-(trifluoromethyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192977
4-(4-amino-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-2-fluorophenol
CID 136813848
2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189983
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 107539759
2-(4-methylsulfanylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201426
2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190548

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 107539786) is 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccc(F)c(F)c2Br)nc2c1CSC2.
What is the InChIKey of 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is SXRSJZLCORHVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3S/c13-9-5(1-2-7(14)10(9)15)12-17-8-4-19-3-6(8)11(16)18-12/h1-2H,3-4H2,(H2,16,17,18).
What are the key properties of 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 344.18 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 107539786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).