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

C12H10BrN3S — CID 83189983

IUPAC2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(Br)c2)nc2c1CSC2
InChIInChI=1S/C12H10BrN3S/c13-8-3-1-2-7(4-8)12-15-10-6-17-5-9(10)11(14)16-12/h1-4H,5-6H2,(H2,14,15,16)
InChIKeyXDHZBWWRJLMYDN-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.24
Rot. Bonds1

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

2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83189983) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83189983
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(Br)c2)nc2c1CSC2
InChIInChI=1S/C12H10BrN3S/c13-8-3-1-2-7(4-8)12-15-10-6-17-5-9(10)11(14)16-12/h1-4H,5-6H2,(H2,14,15,16)
InChIKeyXDHZBWWRJLMYDN-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-2,4-dimethyl-6-phenylpyrimidine
CID 85673705
6-(3-Bromophenyl)-5-fluoropyrimidine-2,4-diamine
CID 57472971
2-(4-Bromo-3,5-difluorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
CID 59686242
2-(4-Bromo-2,5-difluorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
CID 59686306
2-(2-fluorophenyl)-N,N-dimethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 60028900
2-((3-Bromo-4-fluorobenzyl)thio)-6-methylpyrimidin-4-amine
CID 47060448
2-[(5-Bromo-2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 47448960
2-[(3-Bromo-4-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyrimidine
CID 61035694
2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62689493
2-(4-Bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65999184
2-(2-Bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65999186
2-[(3-Bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 65999384

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83189983) is 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(-c2cccc(Br)c2)nc2c1CSC2.
What is the InChIKey of 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is XDHZBWWRJLMYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-8-3-1-2-7(4-8)12-15-10-6-17-5-9(10)11(14)16-12/h1-4H,5-6H2,(H2,14,15,16).
What are the key properties of 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 308.20 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83189983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).