6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine

C15H12BrN3OS — CID 154797886

IUPAC6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESBrc1cc2ncnc(Nc3ccc4c(c3)COCC4)c2s1
InChIInChI=1S/C15H12BrN3OS/c16-13-6-12-14(21-13)15(18-8-17-12)19-11-2-1-9-3-4-20-7-10(9)5-11/h1-2,5-6,8H,3-4,7H2,(H,17,18,19)
InChIKeyQOWSUCABVYIDTM-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.27
Rot. Bonds2

About 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine

6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 154797886) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID154797886
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESBrc1cc2ncnc(Nc3ccc4c(c3)COCC4)c2s1
InChIInChI=1S/C15H12BrN3OS/c16-13-6-12-14(21-13)15(18-8-17-12)19-11-2-1-9-3-4-20-7-10(9)5-11/h1-2,5-6,8H,3-4,7H2,(H,17,18,19)
InChIKeyQOWSUCABVYIDTM-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-bromo-N-(1,3-dihydro-2-benzofuran-5-yl)pyrimidin-4-amine
CID 100669403
7-bromo-3,4-dihydro-1H-isochromene
CID 10560525
6-bromo-N-[(6S)-3-methoxy-6-methylcyclohexa-1,3-dien-1-yl]thieno[3,2-d]pyrimidin-4-amine
CID 130341684
4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 114262820
6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride
CID 122360142
3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
CID 114262554
N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10198864
N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 167974744
3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine
CID 114263213
N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 18383046
1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
CID 82599521
N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 57422578

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine (CID 154797886) is 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine is Brc1cc2ncnc(Nc3ccc4c(c3)COCC4)c2s1.
What is the InChIKey of 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QOWSUCABVYIDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-13-6-12-14(21-13)15(18-8-17-12)19-11-2-1-9-3-4-20-7-10(9)5-11/h1-2,5-6,8H,3-4,7H2,(H,17,18,19).
What are the key properties of 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine?
6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 362.25 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,4-dihydro-1H-isochromen-7-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 154797886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).