6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine

C9H9BrN6 — CID 169074729

IUPAC6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine
SMILESC/N=c1\ncc2nc(Br)c3n(c-2n1)CCN3
InChIInChI=1S/C9H9BrN6/c1-11-9-13-4-5-7(15-9)16-3-2-12-8(16)6(10)14-5/h4,12H,2-3H2,1H3/b11-9+
InChIKeyJCUMXUWJEOBEGD-PKNBQFBNSA-N
MW281.12 g/mol
LogP0.50
Rot. Bonds

About 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine

6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine (PubChem CID 169074729) has the molecular formula C9H9BrN6 and a molecular weight of 281.12 g/mol. Its IUPAC name is 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine.

Molecular Properties

Compound Name6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine
PubChem CID169074729
Molecular FormulaC9H9BrN6
Molecular Weight281.12 g/mol
Exact Mass280.01
IUPAC Name6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine
SMILESC/N=c1\ncc2nc(Br)c3n(c-2n1)CCN3
InChIInChI=1S/C9H9BrN6/c1-11-9-13-4-5-7(15-9)16-3-2-12-8(16)6(10)14-5/h4,12H,2-3H2,1H3/b11-9+
InChIKeyJCUMXUWJEOBEGD-PKNBQFBNSA-N
XLogP0.50
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-5-(12-methylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)aniline
CID 169075199
7-bromo-N-(1,3,4-thiadiazol-2-yl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-12-imine
CID 172827473
1-N'-[4-fluoro-3-(12-methylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 169075179
9-bromo-N-ethyl-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine
CID 169074657
7-bromo-N-(1,2-oxazol-3-yl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-12-imine
CID 163527695
tert-butyl N-[2-fluoro-4-methyl-3-(12-methylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)phenyl]carbamate
CID 169075262
1-[2-fluoro-4-methyl-5-(12-methylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 169074923
1-N'-[2-fluoro-4-methyl-5-(12-methylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 169075157
5-(12-ethylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)-2-fluoro-4-methylaniline
CID 169074701
(Z)-7-(2-chlorophenyl)-N-(2-methylpyrazol-3-yl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-12-imine
CID 169075047
13-(4-bromophenyl)-11-methyl-16-thia-3,6,8,14-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,8,10(15),11,13-pentaene-7-thione
CID 135482360
2-fluoro-5-[12-(oxetan-3-ylimino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]aniline
CID 169075167

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine?
The IUPAC name of 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine (CID 169074729) is 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine.
What is the SMILES notation for 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine?
The canonical SMILES for 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine is C/N=c1\ncc2nc(Br)c3n(c-2n1)CCN3.
What is the InChIKey of 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine?
The InChIKey is JCUMXUWJEOBEGD-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H9BrN6/c1-11-9-13-4-5-7(15-9)16-3-2-12-8(16)6(10)14-5/h4,12H,2-3H2,1H3/b11-9+.
What are the key properties of 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine?
6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine has a molecular weight of 281.12 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-8,9-dihydro-7H-imidazo[2,1-h]pteridin-2-imine is sourced from PubChem (CID 169074729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).